Project ID: plumID:19.044
Source: MultithermalMultibaricSimulations/MultithermalMultibaric/Analysis/Reweight-TP/plumed.dat
Originally used with PLUMED version: 2.4-dev
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr

Click on the labels of the actions for more information on what each action computes
tested onv2.9
tested onmaster
# vim:ft=plumed
Enables syntax highlighting for PLUMED files in vim. See here for more details.

energy:
READ
Read quantities from a colvar file. More details
FILE
the name of the file from which to read these quantities
=../COLVARtrim
VALUES
the values to read from the file
=energy2
IGNORE_TIME
ignore the time in the colvar file
vol:
READ
Read quantities from a colvar file. More details
FILE
the name of the file from which to read these quantities
=../COLVARtrim
VALUES
the values to read from the file
=vol
IGNORE_TIME
ignore the time in the colvar file
b1:
READ
Read quantities from a colvar file. More details
FILE
the name of the file from which to read these quantities
=../COLVARtrim
VALUES
the values to read from the file
=b1.bias
IGNORE_TIME
ignore the time in the colvar file

rvol:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
ARG
the input to this function
=vol
PARAMETERS
the parameters of the arguments in your function
=7.8
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO renergy:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
ARG
the input to this function
=energy
PARAMETERS
the parameters of the arguments in your function
=-13250
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO weights:
REWEIGHT_BIAS
Calculate weights for ensemble averages that negate the effect the bias has on the region of phase space explored More details
TEMP
the system temperature
=300
ARG
the biases that must be taken into account when reweighting
=b1.bias
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
FILE
the name of the file on which to output these quantities
=COLVAR
STRIDE
the frequency with which the quantities of interest should be output
=1
FMT
the format that should be used to output real numbers
=%16.10f
weights260-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=260
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-260-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-260-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-260-0,avg2-260-0
FILE
the name of the file on which to output these quantities
=COLVAR260-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights260-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=260
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-260-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-260-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-260-5,avg2-260-5
FILE
the name of the file on which to output these quantities
=COLVAR260-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights260-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=260
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-260-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-260-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-260-10,avg2-260-10
FILE
the name of the file on which to output these quantities
=COLVAR260-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights260-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=260
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-260-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-260-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-260-15,avg2-260-15
FILE
the name of the file on which to output these quantities
=COLVAR260-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights260-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=260
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-260-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-260-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-260-20,avg2-260-20
FILE
the name of the file on which to output these quantities
=COLVAR260-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights260-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=260
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-260-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-260-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-260-25,avg2-260-25
FILE
the name of the file on which to output these quantities
=COLVAR260-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights260-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=260
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-260-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-260-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-260-30,avg2-260-30
FILE
the name of the file on which to output these quantities
=COLVAR260-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights260-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=260
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-260-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-260-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-260-35,avg2-260-35
FILE
the name of the file on which to output these quantities
=COLVAR260-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights260-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=260
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-260-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-260-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-260-40,avg2-260-40
FILE
the name of the file on which to output these quantities
=COLVAR260-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights260-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=260
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-260-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-260-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-260-45,avg2-260-45
FILE
the name of the file on which to output these quantities
=COLVAR260-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights260-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=260
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-260-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-260-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-260-50,avg2-260-50
FILE
the name of the file on which to output these quantities
=COLVAR260-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights260-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=260
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-260-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-260-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-260-55,avg2-260-55
FILE
the name of the file on which to output these quantities
=COLVAR260-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights260-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=260
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-260-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-260-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-260-60,avg2-260-60
FILE
the name of the file on which to output these quantities
=COLVAR260-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights260-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=260
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-260-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-260-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-260-65,avg2-260-65
FILE
the name of the file on which to output these quantities
=COLVAR260-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights260-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=260
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-260-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-260-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-260-70,avg2-260-70
FILE
the name of the file on which to output these quantities
=COLVAR260-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights260-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=260
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-260-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-260-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-260-75,avg2-260-75
FILE
the name of the file on which to output these quantities
=COLVAR260-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights260-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=260
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-260-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-260-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-260-80,avg2-260-80
FILE
the name of the file on which to output these quantities
=COLVAR260-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights260-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=260
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-260-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-260-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-260-85,avg2-260-85
FILE
the name of the file on which to output these quantities
=COLVAR260-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights260-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=260
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-260-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-260-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-260-90,avg2-260-90
FILE
the name of the file on which to output these quantities
=COLVAR260-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights260-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=260
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-260-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-260-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-260-95,avg2-260-95
FILE
the name of the file on which to output these quantities
=COLVAR260-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights260-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=260
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-260-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-260-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights260-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-260-100,avg2-260-100
FILE
the name of the file on which to output these quantities
=COLVAR260-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights262-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=262
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-262-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-262-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-262-0,avg2-262-0
FILE
the name of the file on which to output these quantities
=COLVAR262-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights262-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=262
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-262-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-262-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-262-5,avg2-262-5
FILE
the name of the file on which to output these quantities
=COLVAR262-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights262-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=262
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-262-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-262-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-262-10,avg2-262-10
FILE
the name of the file on which to output these quantities
=COLVAR262-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights262-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=262
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-262-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-262-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-262-15,avg2-262-15
FILE
the name of the file on which to output these quantities
=COLVAR262-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights262-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=262
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-262-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-262-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-262-20,avg2-262-20
FILE
the name of the file on which to output these quantities
=COLVAR262-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights262-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=262
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-262-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-262-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-262-25,avg2-262-25
FILE
the name of the file on which to output these quantities
=COLVAR262-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights262-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=262
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-262-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-262-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-262-30,avg2-262-30
FILE
the name of the file on which to output these quantities
=COLVAR262-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights262-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=262
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-262-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-262-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-262-35,avg2-262-35
FILE
the name of the file on which to output these quantities
=COLVAR262-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights262-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=262
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-262-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-262-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-262-40,avg2-262-40
FILE
the name of the file on which to output these quantities
=COLVAR262-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights262-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=262
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-262-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-262-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-262-45,avg2-262-45
FILE
the name of the file on which to output these quantities
=COLVAR262-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights262-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=262
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-262-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-262-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-262-50,avg2-262-50
FILE
the name of the file on which to output these quantities
=COLVAR262-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights262-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=262
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-262-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-262-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-262-55,avg2-262-55
FILE
the name of the file on which to output these quantities
=COLVAR262-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights262-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=262
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-262-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-262-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-262-60,avg2-262-60
FILE
the name of the file on which to output these quantities
=COLVAR262-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights262-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=262
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-262-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-262-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-262-65,avg2-262-65
FILE
the name of the file on which to output these quantities
=COLVAR262-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights262-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=262
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-262-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-262-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-262-70,avg2-262-70
FILE
the name of the file on which to output these quantities
=COLVAR262-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights262-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=262
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-262-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-262-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-262-75,avg2-262-75
FILE
the name of the file on which to output these quantities
=COLVAR262-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights262-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=262
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-262-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-262-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-262-80,avg2-262-80
FILE
the name of the file on which to output these quantities
=COLVAR262-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights262-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=262
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-262-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-262-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-262-85,avg2-262-85
FILE
the name of the file on which to output these quantities
=COLVAR262-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights262-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=262
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-262-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-262-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-262-90,avg2-262-90
FILE
the name of the file on which to output these quantities
=COLVAR262-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights262-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=262
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-262-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-262-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-262-95,avg2-262-95
FILE
the name of the file on which to output these quantities
=COLVAR262-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights262-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=262
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-262-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-262-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights262-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-262-100,avg2-262-100
FILE
the name of the file on which to output these quantities
=COLVAR262-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights264-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=264
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-264-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-264-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-264-0,avg2-264-0
FILE
the name of the file on which to output these quantities
=COLVAR264-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights264-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=264
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-264-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-264-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-264-5,avg2-264-5
FILE
the name of the file on which to output these quantities
=COLVAR264-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights264-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=264
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-264-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-264-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-264-10,avg2-264-10
FILE
the name of the file on which to output these quantities
=COLVAR264-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights264-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=264
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-264-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-264-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-264-15,avg2-264-15
FILE
the name of the file on which to output these quantities
=COLVAR264-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights264-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=264
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-264-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-264-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-264-20,avg2-264-20
FILE
the name of the file on which to output these quantities
=COLVAR264-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights264-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=264
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-264-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-264-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-264-25,avg2-264-25
FILE
the name of the file on which to output these quantities
=COLVAR264-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights264-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=264
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-264-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-264-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-264-30,avg2-264-30
FILE
the name of the file on which to output these quantities
=COLVAR264-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights264-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=264
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-264-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-264-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-264-35,avg2-264-35
FILE
the name of the file on which to output these quantities
=COLVAR264-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights264-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=264
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-264-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-264-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-264-40,avg2-264-40
FILE
the name of the file on which to output these quantities
=COLVAR264-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights264-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=264
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-264-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-264-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-264-45,avg2-264-45
FILE
the name of the file on which to output these quantities
=COLVAR264-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights264-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=264
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-264-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-264-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-264-50,avg2-264-50
FILE
the name of the file on which to output these quantities
=COLVAR264-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights264-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=264
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-264-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-264-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-264-55,avg2-264-55
FILE
the name of the file on which to output these quantities
=COLVAR264-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights264-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=264
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-264-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-264-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-264-60,avg2-264-60
FILE
the name of the file on which to output these quantities
=COLVAR264-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights264-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=264
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-264-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-264-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-264-65,avg2-264-65
FILE
the name of the file on which to output these quantities
=COLVAR264-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights264-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=264
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-264-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-264-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-264-70,avg2-264-70
FILE
the name of the file on which to output these quantities
=COLVAR264-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights264-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=264
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-264-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-264-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-264-75,avg2-264-75
FILE
the name of the file on which to output these quantities
=COLVAR264-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights264-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=264
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-264-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-264-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-264-80,avg2-264-80
FILE
the name of the file on which to output these quantities
=COLVAR264-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights264-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=264
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-264-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-264-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-264-85,avg2-264-85
FILE
the name of the file on which to output these quantities
=COLVAR264-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights264-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=264
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-264-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-264-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-264-90,avg2-264-90
FILE
the name of the file on which to output these quantities
=COLVAR264-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights264-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=264
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-264-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-264-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-264-95,avg2-264-95
FILE
the name of the file on which to output these quantities
=COLVAR264-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights264-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=264
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-264-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-264-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights264-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-264-100,avg2-264-100
FILE
the name of the file on which to output these quantities
=COLVAR264-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights266-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=266
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-266-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-266-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-266-0,avg2-266-0
FILE
the name of the file on which to output these quantities
=COLVAR266-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights266-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=266
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-266-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-266-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-266-5,avg2-266-5
FILE
the name of the file on which to output these quantities
=COLVAR266-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights266-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=266
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-266-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-266-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-266-10,avg2-266-10
FILE
the name of the file on which to output these quantities
=COLVAR266-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights266-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=266
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-266-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-266-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-266-15,avg2-266-15
FILE
the name of the file on which to output these quantities
=COLVAR266-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights266-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=266
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-266-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-266-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-266-20,avg2-266-20
FILE
the name of the file on which to output these quantities
=COLVAR266-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights266-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=266
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-266-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-266-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-266-25,avg2-266-25
FILE
the name of the file on which to output these quantities
=COLVAR266-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights266-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=266
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-266-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-266-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-266-30,avg2-266-30
FILE
the name of the file on which to output these quantities
=COLVAR266-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights266-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=266
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-266-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-266-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-266-35,avg2-266-35
FILE
the name of the file on which to output these quantities
=COLVAR266-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights266-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=266
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-266-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-266-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-266-40,avg2-266-40
FILE
the name of the file on which to output these quantities
=COLVAR266-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights266-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=266
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-266-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-266-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-266-45,avg2-266-45
FILE
the name of the file on which to output these quantities
=COLVAR266-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights266-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=266
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-266-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-266-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-266-50,avg2-266-50
FILE
the name of the file on which to output these quantities
=COLVAR266-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights266-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=266
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-266-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-266-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-266-55,avg2-266-55
FILE
the name of the file on which to output these quantities
=COLVAR266-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights266-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=266
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-266-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-266-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-266-60,avg2-266-60
FILE
the name of the file on which to output these quantities
=COLVAR266-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights266-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=266
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-266-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-266-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-266-65,avg2-266-65
FILE
the name of the file on which to output these quantities
=COLVAR266-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights266-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=266
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-266-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-266-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-266-70,avg2-266-70
FILE
the name of the file on which to output these quantities
=COLVAR266-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights266-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=266
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-266-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-266-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-266-75,avg2-266-75
FILE
the name of the file on which to output these quantities
=COLVAR266-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights266-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=266
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-266-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-266-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-266-80,avg2-266-80
FILE
the name of the file on which to output these quantities
=COLVAR266-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights266-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=266
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-266-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-266-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-266-85,avg2-266-85
FILE
the name of the file on which to output these quantities
=COLVAR266-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights266-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=266
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-266-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-266-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-266-90,avg2-266-90
FILE
the name of the file on which to output these quantities
=COLVAR266-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights266-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=266
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-266-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-266-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-266-95,avg2-266-95
FILE
the name of the file on which to output these quantities
=COLVAR266-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights266-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=266
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-266-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-266-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights266-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-266-100,avg2-266-100
FILE
the name of the file on which to output these quantities
=COLVAR266-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights268-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=268
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-268-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-268-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-268-0,avg2-268-0
FILE
the name of the file on which to output these quantities
=COLVAR268-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights268-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=268
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-268-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-268-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-268-5,avg2-268-5
FILE
the name of the file on which to output these quantities
=COLVAR268-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights268-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=268
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-268-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-268-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-268-10,avg2-268-10
FILE
the name of the file on which to output these quantities
=COLVAR268-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights268-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=268
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-268-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-268-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-268-15,avg2-268-15
FILE
the name of the file on which to output these quantities
=COLVAR268-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights268-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=268
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-268-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-268-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-268-20,avg2-268-20
FILE
the name of the file on which to output these quantities
=COLVAR268-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights268-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=268
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-268-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-268-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-268-25,avg2-268-25
FILE
the name of the file on which to output these quantities
=COLVAR268-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights268-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=268
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-268-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-268-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-268-30,avg2-268-30
FILE
the name of the file on which to output these quantities
=COLVAR268-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights268-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=268
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-268-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-268-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-268-35,avg2-268-35
FILE
the name of the file on which to output these quantities
=COLVAR268-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights268-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=268
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-268-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-268-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-268-40,avg2-268-40
FILE
the name of the file on which to output these quantities
=COLVAR268-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights268-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=268
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-268-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-268-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-268-45,avg2-268-45
FILE
the name of the file on which to output these quantities
=COLVAR268-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights268-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=268
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-268-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-268-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-268-50,avg2-268-50
FILE
the name of the file on which to output these quantities
=COLVAR268-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights268-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=268
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-268-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-268-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-268-55,avg2-268-55
FILE
the name of the file on which to output these quantities
=COLVAR268-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights268-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=268
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-268-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-268-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-268-60,avg2-268-60
FILE
the name of the file on which to output these quantities
=COLVAR268-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights268-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=268
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-268-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-268-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-268-65,avg2-268-65
FILE
the name of the file on which to output these quantities
=COLVAR268-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights268-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=268
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-268-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-268-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-268-70,avg2-268-70
FILE
the name of the file on which to output these quantities
=COLVAR268-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights268-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=268
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-268-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-268-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-268-75,avg2-268-75
FILE
the name of the file on which to output these quantities
=COLVAR268-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights268-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=268
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-268-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-268-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-268-80,avg2-268-80
FILE
the name of the file on which to output these quantities
=COLVAR268-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights268-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=268
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-268-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-268-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-268-85,avg2-268-85
FILE
the name of the file on which to output these quantities
=COLVAR268-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights268-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=268
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-268-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-268-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-268-90,avg2-268-90
FILE
the name of the file on which to output these quantities
=COLVAR268-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights268-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=268
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-268-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-268-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-268-95,avg2-268-95
FILE
the name of the file on which to output these quantities
=COLVAR268-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights268-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=268
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-268-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-268-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights268-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-268-100,avg2-268-100
FILE
the name of the file on which to output these quantities
=COLVAR268-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights270-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=270
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-270-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-270-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-270-0,avg2-270-0
FILE
the name of the file on which to output these quantities
=COLVAR270-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights270-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=270
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-270-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-270-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-270-5,avg2-270-5
FILE
the name of the file on which to output these quantities
=COLVAR270-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights270-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=270
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-270-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-270-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-270-10,avg2-270-10
FILE
the name of the file on which to output these quantities
=COLVAR270-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights270-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=270
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-270-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-270-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-270-15,avg2-270-15
FILE
the name of the file on which to output these quantities
=COLVAR270-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights270-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=270
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-270-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-270-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-270-20,avg2-270-20
FILE
the name of the file on which to output these quantities
=COLVAR270-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights270-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=270
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-270-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-270-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-270-25,avg2-270-25
FILE
the name of the file on which to output these quantities
=COLVAR270-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights270-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=270
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-270-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-270-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-270-30,avg2-270-30
FILE
the name of the file on which to output these quantities
=COLVAR270-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights270-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=270
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-270-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-270-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-270-35,avg2-270-35
FILE
the name of the file on which to output these quantities
=COLVAR270-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights270-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=270
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-270-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-270-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-270-40,avg2-270-40
FILE
the name of the file on which to output these quantities
=COLVAR270-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights270-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=270
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-270-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-270-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-270-45,avg2-270-45
FILE
the name of the file on which to output these quantities
=COLVAR270-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights270-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=270
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-270-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-270-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-270-50,avg2-270-50
FILE
the name of the file on which to output these quantities
=COLVAR270-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights270-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=270
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-270-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-270-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-270-55,avg2-270-55
FILE
the name of the file on which to output these quantities
=COLVAR270-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights270-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=270
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-270-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-270-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-270-60,avg2-270-60
FILE
the name of the file on which to output these quantities
=COLVAR270-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights270-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=270
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-270-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-270-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-270-65,avg2-270-65
FILE
the name of the file on which to output these quantities
=COLVAR270-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights270-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=270
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-270-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-270-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-270-70,avg2-270-70
FILE
the name of the file on which to output these quantities
=COLVAR270-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights270-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=270
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-270-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-270-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-270-75,avg2-270-75
FILE
the name of the file on which to output these quantities
=COLVAR270-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights270-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=270
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-270-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-270-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-270-80,avg2-270-80
FILE
the name of the file on which to output these quantities
=COLVAR270-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights270-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=270
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-270-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-270-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-270-85,avg2-270-85
FILE
the name of the file on which to output these quantities
=COLVAR270-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights270-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=270
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-270-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-270-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-270-90,avg2-270-90
FILE
the name of the file on which to output these quantities
=COLVAR270-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights270-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=270
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-270-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-270-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-270-95,avg2-270-95
FILE
the name of the file on which to output these quantities
=COLVAR270-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights270-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=270
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-270-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-270-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights270-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-270-100,avg2-270-100
FILE
the name of the file on which to output these quantities
=COLVAR270-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights272-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=272
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-272-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-272-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-272-0,avg2-272-0
FILE
the name of the file on which to output these quantities
=COLVAR272-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights272-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=272
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-272-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-272-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-272-5,avg2-272-5
FILE
the name of the file on which to output these quantities
=COLVAR272-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights272-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=272
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-272-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-272-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-272-10,avg2-272-10
FILE
the name of the file on which to output these quantities
=COLVAR272-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights272-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=272
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-272-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-272-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-272-15,avg2-272-15
FILE
the name of the file on which to output these quantities
=COLVAR272-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights272-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=272
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-272-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-272-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-272-20,avg2-272-20
FILE
the name of the file on which to output these quantities
=COLVAR272-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights272-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=272
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-272-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-272-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-272-25,avg2-272-25
FILE
the name of the file on which to output these quantities
=COLVAR272-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights272-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=272
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-272-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-272-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-272-30,avg2-272-30
FILE
the name of the file on which to output these quantities
=COLVAR272-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights272-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=272
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-272-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-272-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-272-35,avg2-272-35
FILE
the name of the file on which to output these quantities
=COLVAR272-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights272-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=272
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-272-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-272-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-272-40,avg2-272-40
FILE
the name of the file on which to output these quantities
=COLVAR272-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights272-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=272
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-272-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-272-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-272-45,avg2-272-45
FILE
the name of the file on which to output these quantities
=COLVAR272-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights272-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=272
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-272-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-272-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-272-50,avg2-272-50
FILE
the name of the file on which to output these quantities
=COLVAR272-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights272-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=272
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-272-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-272-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-272-55,avg2-272-55
FILE
the name of the file on which to output these quantities
=COLVAR272-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights272-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=272
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-272-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-272-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-272-60,avg2-272-60
FILE
the name of the file on which to output these quantities
=COLVAR272-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights272-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=272
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-272-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-272-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-272-65,avg2-272-65
FILE
the name of the file on which to output these quantities
=COLVAR272-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights272-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=272
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-272-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-272-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-272-70,avg2-272-70
FILE
the name of the file on which to output these quantities
=COLVAR272-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights272-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=272
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-272-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-272-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-272-75,avg2-272-75
FILE
the name of the file on which to output these quantities
=COLVAR272-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights272-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=272
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-272-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-272-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-272-80,avg2-272-80
FILE
the name of the file on which to output these quantities
=COLVAR272-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights272-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=272
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-272-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-272-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-272-85,avg2-272-85
FILE
the name of the file on which to output these quantities
=COLVAR272-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights272-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=272
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-272-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-272-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-272-90,avg2-272-90
FILE
the name of the file on which to output these quantities
=COLVAR272-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights272-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=272
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-272-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-272-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-272-95,avg2-272-95
FILE
the name of the file on which to output these quantities
=COLVAR272-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights272-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=272
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-272-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-272-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights272-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-272-100,avg2-272-100
FILE
the name of the file on which to output these quantities
=COLVAR272-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights274-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=274
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-274-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-274-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-274-0,avg2-274-0
FILE
the name of the file on which to output these quantities
=COLVAR274-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights274-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=274
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-274-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-274-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-274-5,avg2-274-5
FILE
the name of the file on which to output these quantities
=COLVAR274-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights274-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=274
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-274-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-274-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-274-10,avg2-274-10
FILE
the name of the file on which to output these quantities
=COLVAR274-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights274-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=274
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-274-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-274-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-274-15,avg2-274-15
FILE
the name of the file on which to output these quantities
=COLVAR274-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights274-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=274
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-274-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-274-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-274-20,avg2-274-20
FILE
the name of the file on which to output these quantities
=COLVAR274-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights274-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=274
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-274-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-274-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-274-25,avg2-274-25
FILE
the name of the file on which to output these quantities
=COLVAR274-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights274-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=274
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-274-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-274-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-274-30,avg2-274-30
FILE
the name of the file on which to output these quantities
=COLVAR274-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights274-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=274
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-274-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-274-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-274-35,avg2-274-35
FILE
the name of the file on which to output these quantities
=COLVAR274-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights274-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=274
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-274-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-274-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-274-40,avg2-274-40
FILE
the name of the file on which to output these quantities
=COLVAR274-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights274-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=274
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-274-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-274-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-274-45,avg2-274-45
FILE
the name of the file on which to output these quantities
=COLVAR274-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights274-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=274
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-274-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-274-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-274-50,avg2-274-50
FILE
the name of the file on which to output these quantities
=COLVAR274-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights274-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=274
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-274-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-274-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-274-55,avg2-274-55
FILE
the name of the file on which to output these quantities
=COLVAR274-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights274-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=274
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-274-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-274-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-274-60,avg2-274-60
FILE
the name of the file on which to output these quantities
=COLVAR274-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights274-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=274
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-274-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-274-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-274-65,avg2-274-65
FILE
the name of the file on which to output these quantities
=COLVAR274-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights274-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=274
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-274-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-274-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-274-70,avg2-274-70
FILE
the name of the file on which to output these quantities
=COLVAR274-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights274-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=274
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-274-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-274-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-274-75,avg2-274-75
FILE
the name of the file on which to output these quantities
=COLVAR274-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights274-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=274
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-274-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-274-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-274-80,avg2-274-80
FILE
the name of the file on which to output these quantities
=COLVAR274-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights274-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=274
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-274-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-274-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-274-85,avg2-274-85
FILE
the name of the file on which to output these quantities
=COLVAR274-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights274-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=274
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-274-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-274-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-274-90,avg2-274-90
FILE
the name of the file on which to output these quantities
=COLVAR274-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights274-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=274
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-274-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-274-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-274-95,avg2-274-95
FILE
the name of the file on which to output these quantities
=COLVAR274-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights274-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=274
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-274-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-274-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights274-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-274-100,avg2-274-100
FILE
the name of the file on which to output these quantities
=COLVAR274-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights276-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=276
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-276-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-276-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-276-0,avg2-276-0
FILE
the name of the file on which to output these quantities
=COLVAR276-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights276-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=276
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-276-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-276-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-276-5,avg2-276-5
FILE
the name of the file on which to output these quantities
=COLVAR276-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights276-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=276
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-276-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-276-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-276-10,avg2-276-10
FILE
the name of the file on which to output these quantities
=COLVAR276-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights276-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=276
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-276-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-276-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-276-15,avg2-276-15
FILE
the name of the file on which to output these quantities
=COLVAR276-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights276-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=276
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-276-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-276-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-276-20,avg2-276-20
FILE
the name of the file on which to output these quantities
=COLVAR276-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights276-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=276
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-276-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-276-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-276-25,avg2-276-25
FILE
the name of the file on which to output these quantities
=COLVAR276-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights276-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=276
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-276-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-276-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-276-30,avg2-276-30
FILE
the name of the file on which to output these quantities
=COLVAR276-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights276-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=276
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-276-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-276-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-276-35,avg2-276-35
FILE
the name of the file on which to output these quantities
=COLVAR276-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights276-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=276
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-276-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-276-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-276-40,avg2-276-40
FILE
the name of the file on which to output these quantities
=COLVAR276-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights276-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=276
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-276-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-276-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-276-45,avg2-276-45
FILE
the name of the file on which to output these quantities
=COLVAR276-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights276-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=276
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-276-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-276-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-276-50,avg2-276-50
FILE
the name of the file on which to output these quantities
=COLVAR276-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights276-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=276
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-276-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-276-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-276-55,avg2-276-55
FILE
the name of the file on which to output these quantities
=COLVAR276-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights276-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=276
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-276-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-276-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-276-60,avg2-276-60
FILE
the name of the file on which to output these quantities
=COLVAR276-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights276-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=276
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-276-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-276-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-276-65,avg2-276-65
FILE
the name of the file on which to output these quantities
=COLVAR276-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights276-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=276
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-276-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-276-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-276-70,avg2-276-70
FILE
the name of the file on which to output these quantities
=COLVAR276-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights276-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=276
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-276-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-276-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-276-75,avg2-276-75
FILE
the name of the file on which to output these quantities
=COLVAR276-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights276-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=276
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-276-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-276-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-276-80,avg2-276-80
FILE
the name of the file on which to output these quantities
=COLVAR276-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights276-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=276
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-276-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-276-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-276-85,avg2-276-85
FILE
the name of the file on which to output these quantities
=COLVAR276-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights276-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=276
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-276-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-276-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-276-90,avg2-276-90
FILE
the name of the file on which to output these quantities
=COLVAR276-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights276-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=276
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-276-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-276-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-276-95,avg2-276-95
FILE
the name of the file on which to output these quantities
=COLVAR276-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights276-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=276
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-276-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-276-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights276-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-276-100,avg2-276-100
FILE
the name of the file on which to output these quantities
=COLVAR276-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights278-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=278
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-278-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-278-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-278-0,avg2-278-0
FILE
the name of the file on which to output these quantities
=COLVAR278-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights278-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=278
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-278-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-278-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-278-5,avg2-278-5
FILE
the name of the file on which to output these quantities
=COLVAR278-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights278-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=278
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-278-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-278-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-278-10,avg2-278-10
FILE
the name of the file on which to output these quantities
=COLVAR278-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights278-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=278
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-278-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-278-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-278-15,avg2-278-15
FILE
the name of the file on which to output these quantities
=COLVAR278-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights278-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=278
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-278-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-278-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-278-20,avg2-278-20
FILE
the name of the file on which to output these quantities
=COLVAR278-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights278-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=278
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-278-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-278-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-278-25,avg2-278-25
FILE
the name of the file on which to output these quantities
=COLVAR278-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights278-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=278
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-278-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-278-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-278-30,avg2-278-30
FILE
the name of the file on which to output these quantities
=COLVAR278-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights278-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=278
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-278-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-278-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-278-35,avg2-278-35
FILE
the name of the file on which to output these quantities
=COLVAR278-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights278-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=278
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-278-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-278-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-278-40,avg2-278-40
FILE
the name of the file on which to output these quantities
=COLVAR278-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights278-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=278
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-278-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-278-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-278-45,avg2-278-45
FILE
the name of the file on which to output these quantities
=COLVAR278-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights278-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=278
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-278-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-278-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-278-50,avg2-278-50
FILE
the name of the file on which to output these quantities
=COLVAR278-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights278-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=278
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-278-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-278-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-278-55,avg2-278-55
FILE
the name of the file on which to output these quantities
=COLVAR278-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights278-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=278
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-278-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-278-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-278-60,avg2-278-60
FILE
the name of the file on which to output these quantities
=COLVAR278-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights278-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=278
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-278-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-278-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-278-65,avg2-278-65
FILE
the name of the file on which to output these quantities
=COLVAR278-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights278-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=278
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-278-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-278-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-278-70,avg2-278-70
FILE
the name of the file on which to output these quantities
=COLVAR278-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights278-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=278
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-278-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-278-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-278-75,avg2-278-75
FILE
the name of the file on which to output these quantities
=COLVAR278-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights278-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=278
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-278-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-278-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-278-80,avg2-278-80
FILE
the name of the file on which to output these quantities
=COLVAR278-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights278-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=278
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-278-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-278-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-278-85,avg2-278-85
FILE
the name of the file on which to output these quantities
=COLVAR278-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights278-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=278
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-278-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-278-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-278-90,avg2-278-90
FILE
the name of the file on which to output these quantities
=COLVAR278-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights278-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=278
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-278-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-278-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-278-95,avg2-278-95
FILE
the name of the file on which to output these quantities
=COLVAR278-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights278-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=278
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-278-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-278-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights278-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-278-100,avg2-278-100
FILE
the name of the file on which to output these quantities
=COLVAR278-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights280-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=280
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-280-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-280-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-280-0,avg2-280-0
FILE
the name of the file on which to output these quantities
=COLVAR280-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights280-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=280
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-280-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-280-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-280-5,avg2-280-5
FILE
the name of the file on which to output these quantities
=COLVAR280-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights280-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=280
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-280-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-280-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-280-10,avg2-280-10
FILE
the name of the file on which to output these quantities
=COLVAR280-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights280-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=280
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-280-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-280-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-280-15,avg2-280-15
FILE
the name of the file on which to output these quantities
=COLVAR280-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights280-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=280
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-280-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-280-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-280-20,avg2-280-20
FILE
the name of the file on which to output these quantities
=COLVAR280-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights280-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=280
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-280-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-280-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-280-25,avg2-280-25
FILE
the name of the file on which to output these quantities
=COLVAR280-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights280-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=280
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-280-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-280-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-280-30,avg2-280-30
FILE
the name of the file on which to output these quantities
=COLVAR280-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights280-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=280
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-280-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-280-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-280-35,avg2-280-35
FILE
the name of the file on which to output these quantities
=COLVAR280-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights280-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=280
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-280-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-280-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-280-40,avg2-280-40
FILE
the name of the file on which to output these quantities
=COLVAR280-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights280-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=280
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-280-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-280-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-280-45,avg2-280-45
FILE
the name of the file on which to output these quantities
=COLVAR280-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights280-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=280
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-280-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-280-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-280-50,avg2-280-50
FILE
the name of the file on which to output these quantities
=COLVAR280-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights280-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=280
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-280-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-280-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-280-55,avg2-280-55
FILE
the name of the file on which to output these quantities
=COLVAR280-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights280-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=280
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-280-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-280-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-280-60,avg2-280-60
FILE
the name of the file on which to output these quantities
=COLVAR280-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights280-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=280
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-280-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-280-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-280-65,avg2-280-65
FILE
the name of the file on which to output these quantities
=COLVAR280-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights280-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=280
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-280-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-280-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-280-70,avg2-280-70
FILE
the name of the file on which to output these quantities
=COLVAR280-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights280-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=280
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-280-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-280-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-280-75,avg2-280-75
FILE
the name of the file on which to output these quantities
=COLVAR280-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights280-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=280
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-280-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-280-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-280-80,avg2-280-80
FILE
the name of the file on which to output these quantities
=COLVAR280-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights280-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=280
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-280-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-280-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-280-85,avg2-280-85
FILE
the name of the file on which to output these quantities
=COLVAR280-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights280-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=280
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-280-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-280-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-280-90,avg2-280-90
FILE
the name of the file on which to output these quantities
=COLVAR280-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights280-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=280
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-280-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-280-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-280-95,avg2-280-95
FILE
the name of the file on which to output these quantities
=COLVAR280-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights280-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=280
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-280-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-280-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights280-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-280-100,avg2-280-100
FILE
the name of the file on which to output these quantities
=COLVAR280-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights282-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=282
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-282-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-282-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-282-0,avg2-282-0
FILE
the name of the file on which to output these quantities
=COLVAR282-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights282-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=282
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-282-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-282-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-282-5,avg2-282-5
FILE
the name of the file on which to output these quantities
=COLVAR282-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights282-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=282
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-282-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-282-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-282-10,avg2-282-10
FILE
the name of the file on which to output these quantities
=COLVAR282-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights282-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=282
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-282-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-282-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-282-15,avg2-282-15
FILE
the name of the file on which to output these quantities
=COLVAR282-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights282-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=282
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-282-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-282-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-282-20,avg2-282-20
FILE
the name of the file on which to output these quantities
=COLVAR282-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights282-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=282
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-282-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-282-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-282-25,avg2-282-25
FILE
the name of the file on which to output these quantities
=COLVAR282-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights282-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=282
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-282-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-282-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-282-30,avg2-282-30
FILE
the name of the file on which to output these quantities
=COLVAR282-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights282-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=282
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-282-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-282-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-282-35,avg2-282-35
FILE
the name of the file on which to output these quantities
=COLVAR282-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights282-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=282
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-282-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-282-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-282-40,avg2-282-40
FILE
the name of the file on which to output these quantities
=COLVAR282-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights282-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=282
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-282-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-282-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-282-45,avg2-282-45
FILE
the name of the file on which to output these quantities
=COLVAR282-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights282-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=282
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-282-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-282-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-282-50,avg2-282-50
FILE
the name of the file on which to output these quantities
=COLVAR282-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights282-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=282
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-282-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-282-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-282-55,avg2-282-55
FILE
the name of the file on which to output these quantities
=COLVAR282-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights282-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=282
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-282-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-282-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-282-60,avg2-282-60
FILE
the name of the file on which to output these quantities
=COLVAR282-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights282-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=282
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-282-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-282-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-282-65,avg2-282-65
FILE
the name of the file on which to output these quantities
=COLVAR282-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights282-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=282
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-282-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-282-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-282-70,avg2-282-70
FILE
the name of the file on which to output these quantities
=COLVAR282-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights282-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=282
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-282-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-282-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-282-75,avg2-282-75
FILE
the name of the file on which to output these quantities
=COLVAR282-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights282-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=282
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-282-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-282-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-282-80,avg2-282-80
FILE
the name of the file on which to output these quantities
=COLVAR282-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights282-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=282
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-282-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-282-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-282-85,avg2-282-85
FILE
the name of the file on which to output these quantities
=COLVAR282-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights282-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=282
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-282-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-282-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-282-90,avg2-282-90
FILE
the name of the file on which to output these quantities
=COLVAR282-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights282-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=282
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-282-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-282-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-282-95,avg2-282-95
FILE
the name of the file on which to output these quantities
=COLVAR282-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights282-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=282
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-282-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-282-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights282-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-282-100,avg2-282-100
FILE
the name of the file on which to output these quantities
=COLVAR282-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights284-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=284
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-284-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-284-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-284-0,avg2-284-0
FILE
the name of the file on which to output these quantities
=COLVAR284-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights284-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=284
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-284-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-284-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-284-5,avg2-284-5
FILE
the name of the file on which to output these quantities
=COLVAR284-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights284-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=284
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-284-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-284-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-284-10,avg2-284-10
FILE
the name of the file on which to output these quantities
=COLVAR284-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights284-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=284
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-284-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-284-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-284-15,avg2-284-15
FILE
the name of the file on which to output these quantities
=COLVAR284-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights284-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=284
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-284-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-284-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-284-20,avg2-284-20
FILE
the name of the file on which to output these quantities
=COLVAR284-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights284-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=284
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-284-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-284-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-284-25,avg2-284-25
FILE
the name of the file on which to output these quantities
=COLVAR284-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights284-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=284
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-284-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-284-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-284-30,avg2-284-30
FILE
the name of the file on which to output these quantities
=COLVAR284-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights284-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=284
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-284-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-284-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-284-35,avg2-284-35
FILE
the name of the file on which to output these quantities
=COLVAR284-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights284-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=284
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-284-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-284-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-284-40,avg2-284-40
FILE
the name of the file on which to output these quantities
=COLVAR284-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights284-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=284
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-284-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-284-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-284-45,avg2-284-45
FILE
the name of the file on which to output these quantities
=COLVAR284-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights284-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=284
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-284-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-284-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-284-50,avg2-284-50
FILE
the name of the file on which to output these quantities
=COLVAR284-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights284-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=284
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-284-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-284-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-284-55,avg2-284-55
FILE
the name of the file on which to output these quantities
=COLVAR284-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights284-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=284
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-284-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-284-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-284-60,avg2-284-60
FILE
the name of the file on which to output these quantities
=COLVAR284-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights284-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=284
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-284-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-284-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-284-65,avg2-284-65
FILE
the name of the file on which to output these quantities
=COLVAR284-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights284-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=284
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-284-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-284-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-284-70,avg2-284-70
FILE
the name of the file on which to output these quantities
=COLVAR284-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights284-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=284
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-284-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-284-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-284-75,avg2-284-75
FILE
the name of the file on which to output these quantities
=COLVAR284-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights284-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=284
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-284-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-284-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-284-80,avg2-284-80
FILE
the name of the file on which to output these quantities
=COLVAR284-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights284-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=284
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-284-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-284-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-284-85,avg2-284-85
FILE
the name of the file on which to output these quantities
=COLVAR284-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights284-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=284
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-284-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-284-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-284-90,avg2-284-90
FILE
the name of the file on which to output these quantities
=COLVAR284-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights284-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=284
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-284-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-284-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-284-95,avg2-284-95
FILE
the name of the file on which to output these quantities
=COLVAR284-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights284-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=284
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-284-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-284-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights284-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-284-100,avg2-284-100
FILE
the name of the file on which to output these quantities
=COLVAR284-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights286-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=286
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-286-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-286-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-286-0,avg2-286-0
FILE
the name of the file on which to output these quantities
=COLVAR286-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights286-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=286
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-286-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-286-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-286-5,avg2-286-5
FILE
the name of the file on which to output these quantities
=COLVAR286-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights286-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=286
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-286-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-286-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-286-10,avg2-286-10
FILE
the name of the file on which to output these quantities
=COLVAR286-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights286-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=286
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-286-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-286-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-286-15,avg2-286-15
FILE
the name of the file on which to output these quantities
=COLVAR286-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights286-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=286
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-286-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-286-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-286-20,avg2-286-20
FILE
the name of the file on which to output these quantities
=COLVAR286-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights286-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=286
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-286-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-286-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-286-25,avg2-286-25
FILE
the name of the file on which to output these quantities
=COLVAR286-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights286-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=286
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-286-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-286-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-286-30,avg2-286-30
FILE
the name of the file on which to output these quantities
=COLVAR286-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights286-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=286
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-286-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-286-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-286-35,avg2-286-35
FILE
the name of the file on which to output these quantities
=COLVAR286-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights286-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=286
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-286-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-286-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-286-40,avg2-286-40
FILE
the name of the file on which to output these quantities
=COLVAR286-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights286-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=286
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-286-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-286-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-286-45,avg2-286-45
FILE
the name of the file on which to output these quantities
=COLVAR286-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights286-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=286
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-286-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-286-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-286-50,avg2-286-50
FILE
the name of the file on which to output these quantities
=COLVAR286-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights286-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=286
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-286-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-286-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-286-55,avg2-286-55
FILE
the name of the file on which to output these quantities
=COLVAR286-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights286-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=286
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-286-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-286-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-286-60,avg2-286-60
FILE
the name of the file on which to output these quantities
=COLVAR286-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights286-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=286
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-286-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-286-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-286-65,avg2-286-65
FILE
the name of the file on which to output these quantities
=COLVAR286-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights286-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=286
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-286-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-286-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-286-70,avg2-286-70
FILE
the name of the file on which to output these quantities
=COLVAR286-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights286-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=286
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-286-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-286-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-286-75,avg2-286-75
FILE
the name of the file on which to output these quantities
=COLVAR286-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights286-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=286
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-286-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-286-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-286-80,avg2-286-80
FILE
the name of the file on which to output these quantities
=COLVAR286-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights286-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=286
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-286-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-286-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-286-85,avg2-286-85
FILE
the name of the file on which to output these quantities
=COLVAR286-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights286-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=286
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-286-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-286-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-286-90,avg2-286-90
FILE
the name of the file on which to output these quantities
=COLVAR286-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights286-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=286
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-286-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-286-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-286-95,avg2-286-95
FILE
the name of the file on which to output these quantities
=COLVAR286-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights286-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=286
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-286-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-286-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights286-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-286-100,avg2-286-100
FILE
the name of the file on which to output these quantities
=COLVAR286-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights288-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=288
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-288-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-288-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-288-0,avg2-288-0
FILE
the name of the file on which to output these quantities
=COLVAR288-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights288-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=288
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-288-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-288-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-288-5,avg2-288-5
FILE
the name of the file on which to output these quantities
=COLVAR288-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights288-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=288
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-288-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-288-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-288-10,avg2-288-10
FILE
the name of the file on which to output these quantities
=COLVAR288-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights288-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=288
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-288-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-288-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-288-15,avg2-288-15
FILE
the name of the file on which to output these quantities
=COLVAR288-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights288-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=288
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-288-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-288-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-288-20,avg2-288-20
FILE
the name of the file on which to output these quantities
=COLVAR288-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights288-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=288
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-288-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-288-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-288-25,avg2-288-25
FILE
the name of the file on which to output these quantities
=COLVAR288-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights288-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=288
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-288-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-288-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-288-30,avg2-288-30
FILE
the name of the file on which to output these quantities
=COLVAR288-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights288-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=288
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-288-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-288-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-288-35,avg2-288-35
FILE
the name of the file on which to output these quantities
=COLVAR288-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights288-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=288
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-288-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-288-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-288-40,avg2-288-40
FILE
the name of the file on which to output these quantities
=COLVAR288-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights288-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=288
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-288-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-288-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-288-45,avg2-288-45
FILE
the name of the file on which to output these quantities
=COLVAR288-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights288-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=288
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-288-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-288-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-288-50,avg2-288-50
FILE
the name of the file on which to output these quantities
=COLVAR288-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights288-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=288
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-288-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-288-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-288-55,avg2-288-55
FILE
the name of the file on which to output these quantities
=COLVAR288-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights288-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=288
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-288-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-288-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-288-60,avg2-288-60
FILE
the name of the file on which to output these quantities
=COLVAR288-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights288-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=288
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-288-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-288-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-288-65,avg2-288-65
FILE
the name of the file on which to output these quantities
=COLVAR288-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights288-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=288
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-288-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-288-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-288-70,avg2-288-70
FILE
the name of the file on which to output these quantities
=COLVAR288-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights288-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=288
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-288-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-288-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-288-75,avg2-288-75
FILE
the name of the file on which to output these quantities
=COLVAR288-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights288-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=288
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-288-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-288-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-288-80,avg2-288-80
FILE
the name of the file on which to output these quantities
=COLVAR288-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights288-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=288
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-288-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-288-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-288-85,avg2-288-85
FILE
the name of the file on which to output these quantities
=COLVAR288-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights288-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=288
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-288-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-288-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-288-90,avg2-288-90
FILE
the name of the file on which to output these quantities
=COLVAR288-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights288-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=288
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-288-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-288-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-288-95,avg2-288-95
FILE
the name of the file on which to output these quantities
=COLVAR288-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights288-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=288
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-288-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-288-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights288-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-288-100,avg2-288-100
FILE
the name of the file on which to output these quantities
=COLVAR288-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights290-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=290
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-290-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-290-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-290-0,avg2-290-0
FILE
the name of the file on which to output these quantities
=COLVAR290-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights290-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=290
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-290-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-290-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-290-5,avg2-290-5
FILE
the name of the file on which to output these quantities
=COLVAR290-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights290-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=290
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-290-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-290-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-290-10,avg2-290-10
FILE
the name of the file on which to output these quantities
=COLVAR290-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights290-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=290
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-290-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-290-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-290-15,avg2-290-15
FILE
the name of the file on which to output these quantities
=COLVAR290-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights290-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=290
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-290-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-290-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-290-20,avg2-290-20
FILE
the name of the file on which to output these quantities
=COLVAR290-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights290-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=290
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-290-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-290-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-290-25,avg2-290-25
FILE
the name of the file on which to output these quantities
=COLVAR290-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights290-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=290
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-290-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-290-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-290-30,avg2-290-30
FILE
the name of the file on which to output these quantities
=COLVAR290-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights290-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=290
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-290-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-290-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-290-35,avg2-290-35
FILE
the name of the file on which to output these quantities
=COLVAR290-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights290-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=290
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-290-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-290-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-290-40,avg2-290-40
FILE
the name of the file on which to output these quantities
=COLVAR290-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights290-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=290
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-290-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-290-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-290-45,avg2-290-45
FILE
the name of the file on which to output these quantities
=COLVAR290-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights290-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=290
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-290-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-290-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-290-50,avg2-290-50
FILE
the name of the file on which to output these quantities
=COLVAR290-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights290-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=290
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-290-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-290-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-290-55,avg2-290-55
FILE
the name of the file on which to output these quantities
=COLVAR290-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights290-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=290
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-290-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-290-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-290-60,avg2-290-60
FILE
the name of the file on which to output these quantities
=COLVAR290-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights290-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=290
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-290-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-290-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-290-65,avg2-290-65
FILE
the name of the file on which to output these quantities
=COLVAR290-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights290-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=290
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-290-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-290-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-290-70,avg2-290-70
FILE
the name of the file on which to output these quantities
=COLVAR290-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights290-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=290
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-290-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-290-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-290-75,avg2-290-75
FILE
the name of the file on which to output these quantities
=COLVAR290-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights290-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=290
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-290-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-290-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-290-80,avg2-290-80
FILE
the name of the file on which to output these quantities
=COLVAR290-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights290-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=290
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-290-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-290-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-290-85,avg2-290-85
FILE
the name of the file on which to output these quantities
=COLVAR290-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights290-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=290
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-290-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-290-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-290-90,avg2-290-90
FILE
the name of the file on which to output these quantities
=COLVAR290-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights290-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=290
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-290-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-290-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-290-95,avg2-290-95
FILE
the name of the file on which to output these quantities
=COLVAR290-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights290-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=290
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-290-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-290-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights290-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-290-100,avg2-290-100
FILE
the name of the file on which to output these quantities
=COLVAR290-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights292-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=292
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-292-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-292-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-292-0,avg2-292-0
FILE
the name of the file on which to output these quantities
=COLVAR292-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights292-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=292
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-292-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-292-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-292-5,avg2-292-5
FILE
the name of the file on which to output these quantities
=COLVAR292-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights292-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=292
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-292-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-292-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-292-10,avg2-292-10
FILE
the name of the file on which to output these quantities
=COLVAR292-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights292-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=292
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-292-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-292-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-292-15,avg2-292-15
FILE
the name of the file on which to output these quantities
=COLVAR292-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights292-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=292
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-292-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-292-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-292-20,avg2-292-20
FILE
the name of the file on which to output these quantities
=COLVAR292-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights292-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=292
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-292-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-292-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-292-25,avg2-292-25
FILE
the name of the file on which to output these quantities
=COLVAR292-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights292-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=292
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-292-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-292-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-292-30,avg2-292-30
FILE
the name of the file on which to output these quantities
=COLVAR292-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights292-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=292
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-292-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-292-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-292-35,avg2-292-35
FILE
the name of the file on which to output these quantities
=COLVAR292-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights292-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=292
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-292-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-292-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-292-40,avg2-292-40
FILE
the name of the file on which to output these quantities
=COLVAR292-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights292-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=292
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-292-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-292-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-292-45,avg2-292-45
FILE
the name of the file on which to output these quantities
=COLVAR292-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights292-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=292
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-292-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-292-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-292-50,avg2-292-50
FILE
the name of the file on which to output these quantities
=COLVAR292-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights292-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=292
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-292-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-292-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-292-55,avg2-292-55
FILE
the name of the file on which to output these quantities
=COLVAR292-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights292-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=292
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-292-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-292-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-292-60,avg2-292-60
FILE
the name of the file on which to output these quantities
=COLVAR292-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights292-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=292
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-292-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-292-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-292-65,avg2-292-65
FILE
the name of the file on which to output these quantities
=COLVAR292-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights292-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=292
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-292-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-292-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-292-70,avg2-292-70
FILE
the name of the file on which to output these quantities
=COLVAR292-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights292-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=292
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-292-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-292-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-292-75,avg2-292-75
FILE
the name of the file on which to output these quantities
=COLVAR292-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights292-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=292
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-292-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-292-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-292-80,avg2-292-80
FILE
the name of the file on which to output these quantities
=COLVAR292-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights292-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=292
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-292-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-292-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-292-85,avg2-292-85
FILE
the name of the file on which to output these quantities
=COLVAR292-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights292-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=292
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-292-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-292-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-292-90,avg2-292-90
FILE
the name of the file on which to output these quantities
=COLVAR292-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights292-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=292
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-292-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-292-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-292-95,avg2-292-95
FILE
the name of the file on which to output these quantities
=COLVAR292-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights292-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=292
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-292-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-292-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights292-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-292-100,avg2-292-100
FILE
the name of the file on which to output these quantities
=COLVAR292-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights294-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=294
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-294-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-294-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-294-0,avg2-294-0
FILE
the name of the file on which to output these quantities
=COLVAR294-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights294-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=294
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-294-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-294-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-294-5,avg2-294-5
FILE
the name of the file on which to output these quantities
=COLVAR294-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights294-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=294
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-294-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-294-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-294-10,avg2-294-10
FILE
the name of the file on which to output these quantities
=COLVAR294-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights294-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=294
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-294-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-294-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-294-15,avg2-294-15
FILE
the name of the file on which to output these quantities
=COLVAR294-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights294-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=294
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-294-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-294-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-294-20,avg2-294-20
FILE
the name of the file on which to output these quantities
=COLVAR294-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights294-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=294
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-294-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-294-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-294-25,avg2-294-25
FILE
the name of the file on which to output these quantities
=COLVAR294-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights294-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=294
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-294-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-294-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-294-30,avg2-294-30
FILE
the name of the file on which to output these quantities
=COLVAR294-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights294-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=294
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-294-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-294-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-294-35,avg2-294-35
FILE
the name of the file on which to output these quantities
=COLVAR294-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights294-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=294
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-294-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-294-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-294-40,avg2-294-40
FILE
the name of the file on which to output these quantities
=COLVAR294-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights294-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=294
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-294-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-294-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-294-45,avg2-294-45
FILE
the name of the file on which to output these quantities
=COLVAR294-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights294-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=294
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-294-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-294-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-294-50,avg2-294-50
FILE
the name of the file on which to output these quantities
=COLVAR294-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights294-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=294
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-294-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-294-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-294-55,avg2-294-55
FILE
the name of the file on which to output these quantities
=COLVAR294-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights294-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=294
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-294-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-294-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-294-60,avg2-294-60
FILE
the name of the file on which to output these quantities
=COLVAR294-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights294-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=294
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-294-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-294-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-294-65,avg2-294-65
FILE
the name of the file on which to output these quantities
=COLVAR294-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights294-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=294
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-294-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-294-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-294-70,avg2-294-70
FILE
the name of the file on which to output these quantities
=COLVAR294-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights294-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=294
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-294-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-294-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-294-75,avg2-294-75
FILE
the name of the file on which to output these quantities
=COLVAR294-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights294-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=294
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-294-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-294-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-294-80,avg2-294-80
FILE
the name of the file on which to output these quantities
=COLVAR294-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights294-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=294
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-294-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-294-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-294-85,avg2-294-85
FILE
the name of the file on which to output these quantities
=COLVAR294-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights294-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=294
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-294-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-294-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-294-90,avg2-294-90
FILE
the name of the file on which to output these quantities
=COLVAR294-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights294-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=294
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-294-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-294-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-294-95,avg2-294-95
FILE
the name of the file on which to output these quantities
=COLVAR294-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights294-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=294
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-294-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-294-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights294-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-294-100,avg2-294-100
FILE
the name of the file on which to output these quantities
=COLVAR294-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights296-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=296
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-296-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-296-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-296-0,avg2-296-0
FILE
the name of the file on which to output these quantities
=COLVAR296-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights296-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=296
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-296-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-296-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-296-5,avg2-296-5
FILE
the name of the file on which to output these quantities
=COLVAR296-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights296-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=296
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-296-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-296-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-296-10,avg2-296-10
FILE
the name of the file on which to output these quantities
=COLVAR296-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights296-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=296
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-296-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-296-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-296-15,avg2-296-15
FILE
the name of the file on which to output these quantities
=COLVAR296-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights296-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=296
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-296-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-296-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-296-20,avg2-296-20
FILE
the name of the file on which to output these quantities
=COLVAR296-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights296-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=296
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-296-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-296-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-296-25,avg2-296-25
FILE
the name of the file on which to output these quantities
=COLVAR296-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights296-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=296
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-296-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-296-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-296-30,avg2-296-30
FILE
the name of the file on which to output these quantities
=COLVAR296-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights296-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=296
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-296-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-296-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-296-35,avg2-296-35
FILE
the name of the file on which to output these quantities
=COLVAR296-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights296-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=296
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-296-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-296-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-296-40,avg2-296-40
FILE
the name of the file on which to output these quantities
=COLVAR296-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights296-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=296
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-296-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-296-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-296-45,avg2-296-45
FILE
the name of the file on which to output these quantities
=COLVAR296-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights296-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=296
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-296-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-296-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-296-50,avg2-296-50
FILE
the name of the file on which to output these quantities
=COLVAR296-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights296-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=296
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-296-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-296-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-296-55,avg2-296-55
FILE
the name of the file on which to output these quantities
=COLVAR296-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights296-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=296
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-296-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-296-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-296-60,avg2-296-60
FILE
the name of the file on which to output these quantities
=COLVAR296-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights296-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=296
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-296-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-296-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-296-65,avg2-296-65
FILE
the name of the file on which to output these quantities
=COLVAR296-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights296-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=296
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-296-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-296-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-296-70,avg2-296-70
FILE
the name of the file on which to output these quantities
=COLVAR296-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights296-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=296
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-296-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-296-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-296-75,avg2-296-75
FILE
the name of the file on which to output these quantities
=COLVAR296-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights296-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=296
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-296-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-296-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-296-80,avg2-296-80
FILE
the name of the file on which to output these quantities
=COLVAR296-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights296-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=296
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-296-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-296-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-296-85,avg2-296-85
FILE
the name of the file on which to output these quantities
=COLVAR296-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights296-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=296
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-296-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-296-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-296-90,avg2-296-90
FILE
the name of the file on which to output these quantities
=COLVAR296-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights296-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=296
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-296-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-296-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-296-95,avg2-296-95
FILE
the name of the file on which to output these quantities
=COLVAR296-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights296-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=296
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-296-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-296-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights296-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-296-100,avg2-296-100
FILE
the name of the file on which to output these quantities
=COLVAR296-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights298-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=298
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-298-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-298-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-298-0,avg2-298-0
FILE
the name of the file on which to output these quantities
=COLVAR298-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights298-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=298
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-298-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-298-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-298-5,avg2-298-5
FILE
the name of the file on which to output these quantities
=COLVAR298-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights298-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=298
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-298-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-298-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-298-10,avg2-298-10
FILE
the name of the file on which to output these quantities
=COLVAR298-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights298-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=298
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-298-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-298-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-298-15,avg2-298-15
FILE
the name of the file on which to output these quantities
=COLVAR298-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights298-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=298
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-298-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-298-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-298-20,avg2-298-20
FILE
the name of the file on which to output these quantities
=COLVAR298-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights298-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=298
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-298-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-298-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-298-25,avg2-298-25
FILE
the name of the file on which to output these quantities
=COLVAR298-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights298-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=298
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-298-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-298-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-298-30,avg2-298-30
FILE
the name of the file on which to output these quantities
=COLVAR298-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights298-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=298
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-298-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-298-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-298-35,avg2-298-35
FILE
the name of the file on which to output these quantities
=COLVAR298-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights298-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=298
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-298-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-298-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-298-40,avg2-298-40
FILE
the name of the file on which to output these quantities
=COLVAR298-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights298-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=298
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-298-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-298-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-298-45,avg2-298-45
FILE
the name of the file on which to output these quantities
=COLVAR298-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights298-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=298
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-298-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-298-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-298-50,avg2-298-50
FILE
the name of the file on which to output these quantities
=COLVAR298-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights298-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=298
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-298-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-298-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-298-55,avg2-298-55
FILE
the name of the file on which to output these quantities
=COLVAR298-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights298-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=298
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-298-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-298-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-298-60,avg2-298-60
FILE
the name of the file on which to output these quantities
=COLVAR298-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights298-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=298
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-298-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-298-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-298-65,avg2-298-65
FILE
the name of the file on which to output these quantities
=COLVAR298-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights298-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=298
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-298-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-298-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-298-70,avg2-298-70
FILE
the name of the file on which to output these quantities
=COLVAR298-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights298-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=298
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-298-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-298-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-298-75,avg2-298-75
FILE
the name of the file on which to output these quantities
=COLVAR298-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights298-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=298
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-298-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-298-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-298-80,avg2-298-80
FILE
the name of the file on which to output these quantities
=COLVAR298-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights298-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=298
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-298-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-298-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-298-85,avg2-298-85
FILE
the name of the file on which to output these quantities
=COLVAR298-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights298-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=298
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-298-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-298-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-298-90,avg2-298-90
FILE
the name of the file on which to output these quantities
=COLVAR298-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights298-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=298
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-298-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-298-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-298-95,avg2-298-95
FILE
the name of the file on which to output these quantities
=COLVAR298-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights298-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=298
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-298-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-298-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights298-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-298-100,avg2-298-100
FILE
the name of the file on which to output these quantities
=COLVAR298-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights300-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=300
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-300-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-300-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-300-0,avg2-300-0
FILE
the name of the file on which to output these quantities
=COLVAR300-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights300-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=300
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-300-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-300-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-300-5,avg2-300-5
FILE
the name of the file on which to output these quantities
=COLVAR300-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights300-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=300
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-300-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-300-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-300-10,avg2-300-10
FILE
the name of the file on which to output these quantities
=COLVAR300-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights300-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=300
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-300-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-300-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-300-15,avg2-300-15
FILE
the name of the file on which to output these quantities
=COLVAR300-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights300-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=300
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-300-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-300-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-300-20,avg2-300-20
FILE
the name of the file on which to output these quantities
=COLVAR300-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights300-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=300
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-300-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-300-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-300-25,avg2-300-25
FILE
the name of the file on which to output these quantities
=COLVAR300-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights300-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=300
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-300-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-300-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-300-30,avg2-300-30
FILE
the name of the file on which to output these quantities
=COLVAR300-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights300-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=300
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-300-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-300-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-300-35,avg2-300-35
FILE
the name of the file on which to output these quantities
=COLVAR300-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights300-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=300
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-300-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-300-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-300-40,avg2-300-40
FILE
the name of the file on which to output these quantities
=COLVAR300-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights300-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=300
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-300-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-300-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-300-45,avg2-300-45
FILE
the name of the file on which to output these quantities
=COLVAR300-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights300-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=300
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-300-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-300-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-300-50,avg2-300-50
FILE
the name of the file on which to output these quantities
=COLVAR300-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights300-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=300
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-300-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-300-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-300-55,avg2-300-55
FILE
the name of the file on which to output these quantities
=COLVAR300-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights300-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=300
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-300-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-300-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-300-60,avg2-300-60
FILE
the name of the file on which to output these quantities
=COLVAR300-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights300-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=300
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-300-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-300-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-300-65,avg2-300-65
FILE
the name of the file on which to output these quantities
=COLVAR300-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights300-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=300
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-300-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-300-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-300-70,avg2-300-70
FILE
the name of the file on which to output these quantities
=COLVAR300-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights300-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=300
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-300-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-300-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-300-75,avg2-300-75
FILE
the name of the file on which to output these quantities
=COLVAR300-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights300-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=300
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-300-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-300-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-300-80,avg2-300-80
FILE
the name of the file on which to output these quantities
=COLVAR300-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights300-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=300
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-300-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-300-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-300-85,avg2-300-85
FILE
the name of the file on which to output these quantities
=COLVAR300-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights300-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=300
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-300-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-300-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-300-90,avg2-300-90
FILE
the name of the file on which to output these quantities
=COLVAR300-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights300-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=300
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-300-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-300-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-300-95,avg2-300-95
FILE
the name of the file on which to output these quantities
=COLVAR300-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights300-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=300
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-300-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-300-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights300-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-300-100,avg2-300-100
FILE
the name of the file on which to output these quantities
=COLVAR300-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights302-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=302
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-302-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-302-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-302-0,avg2-302-0
FILE
the name of the file on which to output these quantities
=COLVAR302-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights302-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=302
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-302-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-302-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-302-5,avg2-302-5
FILE
the name of the file on which to output these quantities
=COLVAR302-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights302-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=302
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-302-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-302-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-302-10,avg2-302-10
FILE
the name of the file on which to output these quantities
=COLVAR302-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights302-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=302
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-302-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-302-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-302-15,avg2-302-15
FILE
the name of the file on which to output these quantities
=COLVAR302-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights302-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=302
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-302-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-302-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-302-20,avg2-302-20
FILE
the name of the file on which to output these quantities
=COLVAR302-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights302-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=302
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-302-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-302-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-302-25,avg2-302-25
FILE
the name of the file on which to output these quantities
=COLVAR302-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights302-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=302
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-302-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-302-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-302-30,avg2-302-30
FILE
the name of the file on which to output these quantities
=COLVAR302-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights302-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=302
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-302-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-302-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-302-35,avg2-302-35
FILE
the name of the file on which to output these quantities
=COLVAR302-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights302-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=302
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-302-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-302-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-302-40,avg2-302-40
FILE
the name of the file on which to output these quantities
=COLVAR302-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights302-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=302
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-302-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-302-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-302-45,avg2-302-45
FILE
the name of the file on which to output these quantities
=COLVAR302-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights302-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=302
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-302-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-302-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-302-50,avg2-302-50
FILE
the name of the file on which to output these quantities
=COLVAR302-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights302-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=302
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-302-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-302-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-302-55,avg2-302-55
FILE
the name of the file on which to output these quantities
=COLVAR302-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights302-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=302
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-302-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-302-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-302-60,avg2-302-60
FILE
the name of the file on which to output these quantities
=COLVAR302-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights302-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=302
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-302-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-302-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-302-65,avg2-302-65
FILE
the name of the file on which to output these quantities
=COLVAR302-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights302-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=302
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-302-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-302-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-302-70,avg2-302-70
FILE
the name of the file on which to output these quantities
=COLVAR302-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights302-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=302
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-302-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-302-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-302-75,avg2-302-75
FILE
the name of the file on which to output these quantities
=COLVAR302-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights302-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=302
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-302-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-302-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-302-80,avg2-302-80
FILE
the name of the file on which to output these quantities
=COLVAR302-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights302-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=302
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-302-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-302-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-302-85,avg2-302-85
FILE
the name of the file on which to output these quantities
=COLVAR302-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights302-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=302
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-302-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-302-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-302-90,avg2-302-90
FILE
the name of the file on which to output these quantities
=COLVAR302-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights302-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=302
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-302-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-302-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-302-95,avg2-302-95
FILE
the name of the file on which to output these quantities
=COLVAR302-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights302-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=302
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-302-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-302-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights302-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-302-100,avg2-302-100
FILE
the name of the file on which to output these quantities
=COLVAR302-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights304-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=304
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-304-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-304-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-304-0,avg2-304-0
FILE
the name of the file on which to output these quantities
=COLVAR304-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights304-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=304
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-304-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-304-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-304-5,avg2-304-5
FILE
the name of the file on which to output these quantities
=COLVAR304-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights304-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=304
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-304-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-304-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-304-10,avg2-304-10
FILE
the name of the file on which to output these quantities
=COLVAR304-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights304-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=304
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-304-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-304-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-304-15,avg2-304-15
FILE
the name of the file on which to output these quantities
=COLVAR304-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights304-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=304
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-304-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-304-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-304-20,avg2-304-20
FILE
the name of the file on which to output these quantities
=COLVAR304-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights304-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=304
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-304-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-304-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-304-25,avg2-304-25
FILE
the name of the file on which to output these quantities
=COLVAR304-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights304-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=304
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-304-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-304-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-304-30,avg2-304-30
FILE
the name of the file on which to output these quantities
=COLVAR304-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights304-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=304
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-304-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-304-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-304-35,avg2-304-35
FILE
the name of the file on which to output these quantities
=COLVAR304-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights304-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=304
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-304-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-304-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-304-40,avg2-304-40
FILE
the name of the file on which to output these quantities
=COLVAR304-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights304-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=304
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-304-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-304-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-304-45,avg2-304-45
FILE
the name of the file on which to output these quantities
=COLVAR304-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights304-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=304
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-304-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-304-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-304-50,avg2-304-50
FILE
the name of the file on which to output these quantities
=COLVAR304-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights304-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=304
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-304-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-304-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-304-55,avg2-304-55
FILE
the name of the file on which to output these quantities
=COLVAR304-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights304-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=304
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-304-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-304-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-304-60,avg2-304-60
FILE
the name of the file on which to output these quantities
=COLVAR304-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights304-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=304
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-304-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-304-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-304-65,avg2-304-65
FILE
the name of the file on which to output these quantities
=COLVAR304-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights304-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=304
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-304-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-304-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-304-70,avg2-304-70
FILE
the name of the file on which to output these quantities
=COLVAR304-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights304-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=304
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-304-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-304-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-304-75,avg2-304-75
FILE
the name of the file on which to output these quantities
=COLVAR304-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights304-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=304
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-304-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-304-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-304-80,avg2-304-80
FILE
the name of the file on which to output these quantities
=COLVAR304-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights304-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=304
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-304-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-304-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-304-85,avg2-304-85
FILE
the name of the file on which to output these quantities
=COLVAR304-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights304-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=304
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-304-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-304-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-304-90,avg2-304-90
FILE
the name of the file on which to output these quantities
=COLVAR304-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights304-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=304
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-304-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-304-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-304-95,avg2-304-95
FILE
the name of the file on which to output these quantities
=COLVAR304-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights304-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=304
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-304-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-304-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights304-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-304-100,avg2-304-100
FILE
the name of the file on which to output these quantities
=COLVAR304-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights306-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=306
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-306-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-306-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-306-0,avg2-306-0
FILE
the name of the file on which to output these quantities
=COLVAR306-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights306-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=306
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-306-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-306-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-306-5,avg2-306-5
FILE
the name of the file on which to output these quantities
=COLVAR306-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights306-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=306
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-306-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-306-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-306-10,avg2-306-10
FILE
the name of the file on which to output these quantities
=COLVAR306-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights306-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=306
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-306-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-306-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-306-15,avg2-306-15
FILE
the name of the file on which to output these quantities
=COLVAR306-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights306-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=306
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-306-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-306-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-306-20,avg2-306-20
FILE
the name of the file on which to output these quantities
=COLVAR306-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights306-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=306
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-306-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-306-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-306-25,avg2-306-25
FILE
the name of the file on which to output these quantities
=COLVAR306-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights306-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=306
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-306-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-306-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-306-30,avg2-306-30
FILE
the name of the file on which to output these quantities
=COLVAR306-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights306-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=306
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-306-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-306-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-306-35,avg2-306-35
FILE
the name of the file on which to output these quantities
=COLVAR306-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights306-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=306
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-306-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-306-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-306-40,avg2-306-40
FILE
the name of the file on which to output these quantities
=COLVAR306-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights306-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=306
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-306-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-306-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-306-45,avg2-306-45
FILE
the name of the file on which to output these quantities
=COLVAR306-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights306-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=306
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-306-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-306-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-306-50,avg2-306-50
FILE
the name of the file on which to output these quantities
=COLVAR306-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights306-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=306
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-306-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-306-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-306-55,avg2-306-55
FILE
the name of the file on which to output these quantities
=COLVAR306-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights306-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=306
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-306-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-306-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-306-60,avg2-306-60
FILE
the name of the file on which to output these quantities
=COLVAR306-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights306-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=306
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-306-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-306-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-306-65,avg2-306-65
FILE
the name of the file on which to output these quantities
=COLVAR306-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights306-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=306
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-306-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-306-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-306-70,avg2-306-70
FILE
the name of the file on which to output these quantities
=COLVAR306-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights306-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=306
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-306-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-306-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-306-75,avg2-306-75
FILE
the name of the file on which to output these quantities
=COLVAR306-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights306-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=306
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-306-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-306-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-306-80,avg2-306-80
FILE
the name of the file on which to output these quantities
=COLVAR306-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights306-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=306
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-306-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-306-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-306-85,avg2-306-85
FILE
the name of the file on which to output these quantities
=COLVAR306-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights306-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=306
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-306-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-306-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-306-90,avg2-306-90
FILE
the name of the file on which to output these quantities
=COLVAR306-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights306-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=306
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-306-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-306-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-306-95,avg2-306-95
FILE
the name of the file on which to output these quantities
=COLVAR306-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights306-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=306
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-306-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-306-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights306-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-306-100,avg2-306-100
FILE
the name of the file on which to output these quantities
=COLVAR306-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights308-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=308
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-308-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-308-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-308-0,avg2-308-0
FILE
the name of the file on which to output these quantities
=COLVAR308-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights308-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=308
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-308-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-308-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-308-5,avg2-308-5
FILE
the name of the file on which to output these quantities
=COLVAR308-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights308-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=308
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-308-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-308-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-308-10,avg2-308-10
FILE
the name of the file on which to output these quantities
=COLVAR308-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights308-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=308
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-308-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-308-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-308-15,avg2-308-15
FILE
the name of the file on which to output these quantities
=COLVAR308-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights308-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=308
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-308-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-308-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-308-20,avg2-308-20
FILE
the name of the file on which to output these quantities
=COLVAR308-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights308-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=308
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-308-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-308-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-308-25,avg2-308-25
FILE
the name of the file on which to output these quantities
=COLVAR308-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights308-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=308
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-308-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-308-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-308-30,avg2-308-30
FILE
the name of the file on which to output these quantities
=COLVAR308-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights308-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=308
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-308-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-308-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-308-35,avg2-308-35
FILE
the name of the file on which to output these quantities
=COLVAR308-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights308-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=308
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-308-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-308-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-308-40,avg2-308-40
FILE
the name of the file on which to output these quantities
=COLVAR308-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights308-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=308
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-308-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-308-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-308-45,avg2-308-45
FILE
the name of the file on which to output these quantities
=COLVAR308-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights308-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=308
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-308-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-308-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-308-50,avg2-308-50
FILE
the name of the file on which to output these quantities
=COLVAR308-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights308-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=308
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-308-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-308-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-308-55,avg2-308-55
FILE
the name of the file on which to output these quantities
=COLVAR308-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights308-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=308
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-308-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-308-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-308-60,avg2-308-60
FILE
the name of the file on which to output these quantities
=COLVAR308-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights308-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=308
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-308-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-308-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-308-65,avg2-308-65
FILE
the name of the file on which to output these quantities
=COLVAR308-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights308-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=308
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-308-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-308-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-308-70,avg2-308-70
FILE
the name of the file on which to output these quantities
=COLVAR308-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights308-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=308
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-308-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-308-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-308-75,avg2-308-75
FILE
the name of the file on which to output these quantities
=COLVAR308-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights308-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=308
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-308-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-308-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-308-80,avg2-308-80
FILE
the name of the file on which to output these quantities
=COLVAR308-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights308-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=308
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-308-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-308-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-308-85,avg2-308-85
FILE
the name of the file on which to output these quantities
=COLVAR308-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights308-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=308
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-308-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-308-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-308-90,avg2-308-90
FILE
the name of the file on which to output these quantities
=COLVAR308-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights308-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=308
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-308-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-308-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-308-95,avg2-308-95
FILE
the name of the file on which to output these quantities
=COLVAR308-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights308-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=308
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-308-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-308-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights308-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-308-100,avg2-308-100
FILE
the name of the file on which to output these quantities
=COLVAR308-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights310-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=310
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-310-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-310-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-310-0,avg2-310-0
FILE
the name of the file on which to output these quantities
=COLVAR310-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights310-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=310
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-310-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-310-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-310-5,avg2-310-5
FILE
the name of the file on which to output these quantities
=COLVAR310-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights310-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=310
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-310-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-310-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-310-10,avg2-310-10
FILE
the name of the file on which to output these quantities
=COLVAR310-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights310-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=310
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-310-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-310-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-310-15,avg2-310-15
FILE
the name of the file on which to output these quantities
=COLVAR310-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights310-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=310
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-310-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-310-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-310-20,avg2-310-20
FILE
the name of the file on which to output these quantities
=COLVAR310-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights310-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=310
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-310-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-310-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-310-25,avg2-310-25
FILE
the name of the file on which to output these quantities
=COLVAR310-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights310-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=310
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-310-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-310-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-310-30,avg2-310-30
FILE
the name of the file on which to output these quantities
=COLVAR310-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights310-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=310
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-310-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-310-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-310-35,avg2-310-35
FILE
the name of the file on which to output these quantities
=COLVAR310-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights310-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=310
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-310-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-310-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-310-40,avg2-310-40
FILE
the name of the file on which to output these quantities
=COLVAR310-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights310-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=310
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-310-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-310-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-310-45,avg2-310-45
FILE
the name of the file on which to output these quantities
=COLVAR310-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights310-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=310
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-310-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-310-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-310-50,avg2-310-50
FILE
the name of the file on which to output these quantities
=COLVAR310-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights310-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=310
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-310-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-310-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-310-55,avg2-310-55
FILE
the name of the file on which to output these quantities
=COLVAR310-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights310-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=310
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-310-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-310-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-310-60,avg2-310-60
FILE
the name of the file on which to output these quantities
=COLVAR310-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights310-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=310
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-310-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-310-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-310-65,avg2-310-65
FILE
the name of the file on which to output these quantities
=COLVAR310-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights310-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=310
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-310-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-310-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-310-70,avg2-310-70
FILE
the name of the file on which to output these quantities
=COLVAR310-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights310-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=310
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-310-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-310-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-310-75,avg2-310-75
FILE
the name of the file on which to output these quantities
=COLVAR310-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights310-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=310
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-310-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-310-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-310-80,avg2-310-80
FILE
the name of the file on which to output these quantities
=COLVAR310-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights310-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=310
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-310-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-310-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-310-85,avg2-310-85
FILE
the name of the file on which to output these quantities
=COLVAR310-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights310-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=310
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-310-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-310-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-310-90,avg2-310-90
FILE
the name of the file on which to output these quantities
=COLVAR310-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights310-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=310
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-310-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-310-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-310-95,avg2-310-95
FILE
the name of the file on which to output these quantities
=COLVAR310-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights310-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=310
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-310-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-310-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights310-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-310-100,avg2-310-100
FILE
the name of the file on which to output these quantities
=COLVAR310-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights312-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=312
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-312-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-312-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-312-0,avg2-312-0
FILE
the name of the file on which to output these quantities
=COLVAR312-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights312-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=312
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-312-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-312-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-312-5,avg2-312-5
FILE
the name of the file on which to output these quantities
=COLVAR312-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights312-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=312
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-312-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-312-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-312-10,avg2-312-10
FILE
the name of the file on which to output these quantities
=COLVAR312-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights312-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=312
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-312-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-312-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-312-15,avg2-312-15
FILE
the name of the file on which to output these quantities
=COLVAR312-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights312-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=312
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-312-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-312-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-312-20,avg2-312-20
FILE
the name of the file on which to output these quantities
=COLVAR312-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights312-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=312
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-312-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-312-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-312-25,avg2-312-25
FILE
the name of the file on which to output these quantities
=COLVAR312-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights312-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=312
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-312-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-312-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-312-30,avg2-312-30
FILE
the name of the file on which to output these quantities
=COLVAR312-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights312-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=312
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-312-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-312-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-312-35,avg2-312-35
FILE
the name of the file on which to output these quantities
=COLVAR312-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights312-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=312
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-312-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-312-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-312-40,avg2-312-40
FILE
the name of the file on which to output these quantities
=COLVAR312-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights312-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=312
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-312-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-312-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-312-45,avg2-312-45
FILE
the name of the file on which to output these quantities
=COLVAR312-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights312-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=312
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-312-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-312-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-312-50,avg2-312-50
FILE
the name of the file on which to output these quantities
=COLVAR312-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights312-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=312
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-312-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-312-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-312-55,avg2-312-55
FILE
the name of the file on which to output these quantities
=COLVAR312-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights312-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=312
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-312-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-312-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-312-60,avg2-312-60
FILE
the name of the file on which to output these quantities
=COLVAR312-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights312-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=312
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-312-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-312-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-312-65,avg2-312-65
FILE
the name of the file on which to output these quantities
=COLVAR312-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights312-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=312
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-312-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-312-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-312-70,avg2-312-70
FILE
the name of the file on which to output these quantities
=COLVAR312-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights312-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=312
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-312-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-312-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-312-75,avg2-312-75
FILE
the name of the file on which to output these quantities
=COLVAR312-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights312-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=312
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-312-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-312-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-312-80,avg2-312-80
FILE
the name of the file on which to output these quantities
=COLVAR312-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights312-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=312
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-312-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-312-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-312-85,avg2-312-85
FILE
the name of the file on which to output these quantities
=COLVAR312-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights312-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=312
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-312-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-312-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-312-90,avg2-312-90
FILE
the name of the file on which to output these quantities
=COLVAR312-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights312-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=312
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-312-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-312-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-312-95,avg2-312-95
FILE
the name of the file on which to output these quantities
=COLVAR312-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights312-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=312
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-312-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-312-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights312-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-312-100,avg2-312-100
FILE
the name of the file on which to output these quantities
=COLVAR312-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights314-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=314
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-314-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-314-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-314-0,avg2-314-0
FILE
the name of the file on which to output these quantities
=COLVAR314-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights314-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=314
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-314-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-314-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-314-5,avg2-314-5
FILE
the name of the file on which to output these quantities
=COLVAR314-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights314-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=314
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-314-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-314-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-314-10,avg2-314-10
FILE
the name of the file on which to output these quantities
=COLVAR314-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights314-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=314
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-314-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-314-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-314-15,avg2-314-15
FILE
the name of the file on which to output these quantities
=COLVAR314-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights314-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=314
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-314-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-314-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-314-20,avg2-314-20
FILE
the name of the file on which to output these quantities
=COLVAR314-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights314-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=314
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-314-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-314-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-314-25,avg2-314-25
FILE
the name of the file on which to output these quantities
=COLVAR314-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights314-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=314
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-314-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-314-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-314-30,avg2-314-30
FILE
the name of the file on which to output these quantities
=COLVAR314-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights314-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=314
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-314-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-314-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-314-35,avg2-314-35
FILE
the name of the file on which to output these quantities
=COLVAR314-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights314-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=314
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-314-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-314-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-314-40,avg2-314-40
FILE
the name of the file on which to output these quantities
=COLVAR314-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights314-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=314
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-314-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-314-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-314-45,avg2-314-45
FILE
the name of the file on which to output these quantities
=COLVAR314-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights314-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=314
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-314-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-314-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-314-50,avg2-314-50
FILE
the name of the file on which to output these quantities
=COLVAR314-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights314-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=314
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-314-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-314-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-314-55,avg2-314-55
FILE
the name of the file on which to output these quantities
=COLVAR314-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights314-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=314
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-314-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-314-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-314-60,avg2-314-60
FILE
the name of the file on which to output these quantities
=COLVAR314-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights314-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=314
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-314-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-314-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-314-65,avg2-314-65
FILE
the name of the file on which to output these quantities
=COLVAR314-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights314-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=314
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-314-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-314-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-314-70,avg2-314-70
FILE
the name of the file on which to output these quantities
=COLVAR314-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights314-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=314
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-314-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-314-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-314-75,avg2-314-75
FILE
the name of the file on which to output these quantities
=COLVAR314-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights314-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=314
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-314-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-314-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-314-80,avg2-314-80
FILE
the name of the file on which to output these quantities
=COLVAR314-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights314-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=314
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-314-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-314-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-314-85,avg2-314-85
FILE
the name of the file on which to output these quantities
=COLVAR314-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights314-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=314
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-314-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-314-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-314-90,avg2-314-90
FILE
the name of the file on which to output these quantities
=COLVAR314-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights314-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=314
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-314-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-314-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-314-95,avg2-314-95
FILE
the name of the file on which to output these quantities
=COLVAR314-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights314-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=314
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-314-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-314-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights314-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-314-100,avg2-314-100
FILE
the name of the file on which to output these quantities
=COLVAR314-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights316-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=316
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-316-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-316-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-316-0,avg2-316-0
FILE
the name of the file on which to output these quantities
=COLVAR316-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights316-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=316
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-316-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-316-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-316-5,avg2-316-5
FILE
the name of the file on which to output these quantities
=COLVAR316-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights316-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=316
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-316-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-316-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-316-10,avg2-316-10
FILE
the name of the file on which to output these quantities
=COLVAR316-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights316-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=316
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-316-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-316-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-316-15,avg2-316-15
FILE
the name of the file on which to output these quantities
=COLVAR316-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights316-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=316
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-316-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-316-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-316-20,avg2-316-20
FILE
the name of the file on which to output these quantities
=COLVAR316-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights316-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=316
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-316-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-316-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-316-25,avg2-316-25
FILE
the name of the file on which to output these quantities
=COLVAR316-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights316-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=316
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-316-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-316-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-316-30,avg2-316-30
FILE
the name of the file on which to output these quantities
=COLVAR316-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights316-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=316
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-316-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-316-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-316-35,avg2-316-35
FILE
the name of the file on which to output these quantities
=COLVAR316-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights316-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=316
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-316-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-316-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-316-40,avg2-316-40
FILE
the name of the file on which to output these quantities
=COLVAR316-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights316-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=316
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-316-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-316-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-316-45,avg2-316-45
FILE
the name of the file on which to output these quantities
=COLVAR316-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights316-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=316
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-316-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-316-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-316-50,avg2-316-50
FILE
the name of the file on which to output these quantities
=COLVAR316-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights316-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=316
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-316-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-316-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-316-55,avg2-316-55
FILE
the name of the file on which to output these quantities
=COLVAR316-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights316-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=316
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-316-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-316-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-316-60,avg2-316-60
FILE
the name of the file on which to output these quantities
=COLVAR316-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights316-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=316
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-316-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-316-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-316-65,avg2-316-65
FILE
the name of the file on which to output these quantities
=COLVAR316-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights316-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=316
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-316-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-316-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-316-70,avg2-316-70
FILE
the name of the file on which to output these quantities
=COLVAR316-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights316-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=316
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-316-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-316-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-316-75,avg2-316-75
FILE
the name of the file on which to output these quantities
=COLVAR316-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights316-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=316
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-316-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-316-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-316-80,avg2-316-80
FILE
the name of the file on which to output these quantities
=COLVAR316-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights316-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=316
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-316-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-316-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-316-85,avg2-316-85
FILE
the name of the file on which to output these quantities
=COLVAR316-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights316-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=316
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-316-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-316-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-316-90,avg2-316-90
FILE
the name of the file on which to output these quantities
=COLVAR316-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights316-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=316
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-316-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-316-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-316-95,avg2-316-95
FILE
the name of the file on which to output these quantities
=COLVAR316-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights316-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=316
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-316-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-316-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights316-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-316-100,avg2-316-100
FILE
the name of the file on which to output these quantities
=COLVAR316-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights318-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=318
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-318-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-318-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-318-0,avg2-318-0
FILE
the name of the file on which to output these quantities
=COLVAR318-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights318-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=318
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-318-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-318-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-318-5,avg2-318-5
FILE
the name of the file on which to output these quantities
=COLVAR318-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights318-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=318
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-318-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-318-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-318-10,avg2-318-10
FILE
the name of the file on which to output these quantities
=COLVAR318-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights318-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=318
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-318-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-318-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-318-15,avg2-318-15
FILE
the name of the file on which to output these quantities
=COLVAR318-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights318-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=318
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-318-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-318-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-318-20,avg2-318-20
FILE
the name of the file on which to output these quantities
=COLVAR318-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights318-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=318
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-318-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-318-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-318-25,avg2-318-25
FILE
the name of the file on which to output these quantities
=COLVAR318-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights318-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=318
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-318-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-318-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-318-30,avg2-318-30
FILE
the name of the file on which to output these quantities
=COLVAR318-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights318-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=318
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-318-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-318-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-318-35,avg2-318-35
FILE
the name of the file on which to output these quantities
=COLVAR318-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights318-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=318
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-318-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-318-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-318-40,avg2-318-40
FILE
the name of the file on which to output these quantities
=COLVAR318-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights318-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=318
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-318-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-318-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-318-45,avg2-318-45
FILE
the name of the file on which to output these quantities
=COLVAR318-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights318-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=318
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-318-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-318-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-318-50,avg2-318-50
FILE
the name of the file on which to output these quantities
=COLVAR318-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights318-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=318
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-318-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-318-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-318-55,avg2-318-55
FILE
the name of the file on which to output these quantities
=COLVAR318-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights318-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=318
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-318-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-318-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-318-60,avg2-318-60
FILE
the name of the file on which to output these quantities
=COLVAR318-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights318-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=318
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-318-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-318-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-318-65,avg2-318-65
FILE
the name of the file on which to output these quantities
=COLVAR318-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights318-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=318
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-318-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-318-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-318-70,avg2-318-70
FILE
the name of the file on which to output these quantities
=COLVAR318-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights318-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=318
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-318-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-318-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-318-75,avg2-318-75
FILE
the name of the file on which to output these quantities
=COLVAR318-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights318-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=318
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-318-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-318-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-318-80,avg2-318-80
FILE
the name of the file on which to output these quantities
=COLVAR318-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights318-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=318
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-318-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-318-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-318-85,avg2-318-85
FILE
the name of the file on which to output these quantities
=COLVAR318-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights318-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=318
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-318-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-318-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-318-90,avg2-318-90
FILE
the name of the file on which to output these quantities
=COLVAR318-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights318-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=318
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-318-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-318-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-318-95,avg2-318-95
FILE
the name of the file on which to output these quantities
=COLVAR318-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights318-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=318
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-318-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-318-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights318-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-318-100,avg2-318-100
FILE
the name of the file on which to output these quantities
=COLVAR318-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights320-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=320
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-320-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-320-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-320-0,avg2-320-0
FILE
the name of the file on which to output these quantities
=COLVAR320-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights320-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=320
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-320-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-320-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-320-5,avg2-320-5
FILE
the name of the file on which to output these quantities
=COLVAR320-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights320-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=320
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-320-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-320-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-320-10,avg2-320-10
FILE
the name of the file on which to output these quantities
=COLVAR320-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights320-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=320
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-320-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-320-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-320-15,avg2-320-15
FILE
the name of the file on which to output these quantities
=COLVAR320-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights320-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=320
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-320-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-320-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-320-20,avg2-320-20
FILE
the name of the file on which to output these quantities
=COLVAR320-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights320-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=320
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-320-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-320-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-320-25,avg2-320-25
FILE
the name of the file on which to output these quantities
=COLVAR320-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights320-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=320
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-320-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-320-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-320-30,avg2-320-30
FILE
the name of the file on which to output these quantities
=COLVAR320-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights320-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=320
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-320-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-320-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-320-35,avg2-320-35
FILE
the name of the file on which to output these quantities
=COLVAR320-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights320-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=320
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-320-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-320-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-320-40,avg2-320-40
FILE
the name of the file on which to output these quantities
=COLVAR320-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights320-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=320
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-320-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-320-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-320-45,avg2-320-45
FILE
the name of the file on which to output these quantities
=COLVAR320-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights320-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=320
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-320-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-320-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-320-50,avg2-320-50
FILE
the name of the file on which to output these quantities
=COLVAR320-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights320-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=320
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-320-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-320-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-320-55,avg2-320-55
FILE
the name of the file on which to output these quantities
=COLVAR320-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights320-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=320
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-320-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-320-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-320-60,avg2-320-60
FILE
the name of the file on which to output these quantities
=COLVAR320-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights320-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=320
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-320-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-320-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-320-65,avg2-320-65
FILE
the name of the file on which to output these quantities
=COLVAR320-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights320-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=320
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-320-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-320-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-320-70,avg2-320-70
FILE
the name of the file on which to output these quantities
=COLVAR320-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights320-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=320
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-320-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-320-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-320-75,avg2-320-75
FILE
the name of the file on which to output these quantities
=COLVAR320-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights320-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=320
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-320-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-320-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-320-80,avg2-320-80
FILE
the name of the file on which to output these quantities
=COLVAR320-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights320-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=320
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-320-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-320-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-320-85,avg2-320-85
FILE
the name of the file on which to output these quantities
=COLVAR320-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights320-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=320
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-320-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-320-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-320-90,avg2-320-90
FILE
the name of the file on which to output these quantities
=COLVAR320-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights320-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=320
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-320-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-320-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-320-95,avg2-320-95
FILE
the name of the file on which to output these quantities
=COLVAR320-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights320-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=320
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-320-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-320-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights320-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-320-100,avg2-320-100
FILE
the name of the file on which to output these quantities
=COLVAR320-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights322-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=322
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-322-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-322-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-322-0,avg2-322-0
FILE
the name of the file on which to output these quantities
=COLVAR322-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights322-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=322
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-322-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-322-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-322-5,avg2-322-5
FILE
the name of the file on which to output these quantities
=COLVAR322-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights322-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=322
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-322-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-322-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-322-10,avg2-322-10
FILE
the name of the file on which to output these quantities
=COLVAR322-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights322-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=322
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-322-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-322-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-322-15,avg2-322-15
FILE
the name of the file on which to output these quantities
=COLVAR322-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights322-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=322
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-322-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-322-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-322-20,avg2-322-20
FILE
the name of the file on which to output these quantities
=COLVAR322-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights322-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=322
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-322-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-322-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-322-25,avg2-322-25
FILE
the name of the file on which to output these quantities
=COLVAR322-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights322-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=322
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-322-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-322-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-322-30,avg2-322-30
FILE
the name of the file on which to output these quantities
=COLVAR322-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights322-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=322
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-322-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-322-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-322-35,avg2-322-35
FILE
the name of the file on which to output these quantities
=COLVAR322-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights322-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=322
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-322-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-322-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-322-40,avg2-322-40
FILE
the name of the file on which to output these quantities
=COLVAR322-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights322-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=322
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-322-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-322-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-322-45,avg2-322-45
FILE
the name of the file on which to output these quantities
=COLVAR322-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights322-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=322
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-322-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-322-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-322-50,avg2-322-50
FILE
the name of the file on which to output these quantities
=COLVAR322-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights322-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=322
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-322-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-322-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-322-55,avg2-322-55
FILE
the name of the file on which to output these quantities
=COLVAR322-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights322-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=322
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-322-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-322-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-322-60,avg2-322-60
FILE
the name of the file on which to output these quantities
=COLVAR322-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights322-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=322
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-322-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-322-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-322-65,avg2-322-65
FILE
the name of the file on which to output these quantities
=COLVAR322-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights322-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=322
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-322-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-322-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-322-70,avg2-322-70
FILE
the name of the file on which to output these quantities
=COLVAR322-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights322-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=322
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-322-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-322-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-322-75,avg2-322-75
FILE
the name of the file on which to output these quantities
=COLVAR322-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights322-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=322
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-322-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-322-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-322-80,avg2-322-80
FILE
the name of the file on which to output these quantities
=COLVAR322-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights322-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=322
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-322-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-322-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-322-85,avg2-322-85
FILE
the name of the file on which to output these quantities
=COLVAR322-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights322-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=322
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-322-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-322-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-322-90,avg2-322-90
FILE
the name of the file on which to output these quantities
=COLVAR322-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights322-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=322
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-322-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-322-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-322-95,avg2-322-95
FILE
the name of the file on which to output these quantities
=COLVAR322-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights322-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=322
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-322-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-322-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights322-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-322-100,avg2-322-100
FILE
the name of the file on which to output these quantities
=COLVAR322-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights324-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=324
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-324-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-324-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-324-0,avg2-324-0
FILE
the name of the file on which to output these quantities
=COLVAR324-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights324-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=324
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-324-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-324-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-324-5,avg2-324-5
FILE
the name of the file on which to output these quantities
=COLVAR324-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights324-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=324
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-324-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-324-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-324-10,avg2-324-10
FILE
the name of the file on which to output these quantities
=COLVAR324-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights324-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=324
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-324-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-324-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-324-15,avg2-324-15
FILE
the name of the file on which to output these quantities
=COLVAR324-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights324-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=324
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-324-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-324-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-324-20,avg2-324-20
FILE
the name of the file on which to output these quantities
=COLVAR324-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights324-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=324
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-324-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-324-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-324-25,avg2-324-25
FILE
the name of the file on which to output these quantities
=COLVAR324-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights324-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=324
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-324-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-324-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-324-30,avg2-324-30
FILE
the name of the file on which to output these quantities
=COLVAR324-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights324-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=324
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-324-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-324-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-324-35,avg2-324-35
FILE
the name of the file on which to output these quantities
=COLVAR324-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights324-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=324
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-324-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-324-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-324-40,avg2-324-40
FILE
the name of the file on which to output these quantities
=COLVAR324-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights324-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=324
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-324-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-324-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-324-45,avg2-324-45
FILE
the name of the file on which to output these quantities
=COLVAR324-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights324-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=324
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-324-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-324-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-324-50,avg2-324-50
FILE
the name of the file on which to output these quantities
=COLVAR324-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights324-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=324
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-324-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-324-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-324-55,avg2-324-55
FILE
the name of the file on which to output these quantities
=COLVAR324-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights324-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=324
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-324-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-324-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-324-60,avg2-324-60
FILE
the name of the file on which to output these quantities
=COLVAR324-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights324-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=324
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-324-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-324-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-324-65,avg2-324-65
FILE
the name of the file on which to output these quantities
=COLVAR324-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights324-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=324
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-324-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-324-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-324-70,avg2-324-70
FILE
the name of the file on which to output these quantities
=COLVAR324-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights324-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=324
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-324-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-324-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-324-75,avg2-324-75
FILE
the name of the file on which to output these quantities
=COLVAR324-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights324-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=324
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-324-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-324-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-324-80,avg2-324-80
FILE
the name of the file on which to output these quantities
=COLVAR324-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights324-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=324
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-324-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-324-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-324-85,avg2-324-85
FILE
the name of the file on which to output these quantities
=COLVAR324-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights324-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=324
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-324-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-324-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-324-90,avg2-324-90
FILE
the name of the file on which to output these quantities
=COLVAR324-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights324-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=324
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-324-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-324-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-324-95,avg2-324-95
FILE
the name of the file on which to output these quantities
=COLVAR324-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights324-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=324
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-324-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-324-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights324-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-324-100,avg2-324-100
FILE
the name of the file on which to output these quantities
=COLVAR324-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights326-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=326
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-326-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-326-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-326-0,avg2-326-0
FILE
the name of the file on which to output these quantities
=COLVAR326-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights326-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=326
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-326-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-326-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-326-5,avg2-326-5
FILE
the name of the file on which to output these quantities
=COLVAR326-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights326-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=326
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-326-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-326-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-326-10,avg2-326-10
FILE
the name of the file on which to output these quantities
=COLVAR326-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights326-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=326
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-326-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-326-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-326-15,avg2-326-15
FILE
the name of the file on which to output these quantities
=COLVAR326-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights326-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=326
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-326-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-326-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-326-20,avg2-326-20
FILE
the name of the file on which to output these quantities
=COLVAR326-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights326-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=326
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-326-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-326-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-326-25,avg2-326-25
FILE
the name of the file on which to output these quantities
=COLVAR326-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights326-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=326
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-326-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-326-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-326-30,avg2-326-30
FILE
the name of the file on which to output these quantities
=COLVAR326-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights326-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=326
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-326-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-326-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-326-35,avg2-326-35
FILE
the name of the file on which to output these quantities
=COLVAR326-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights326-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=326
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-326-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-326-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-326-40,avg2-326-40
FILE
the name of the file on which to output these quantities
=COLVAR326-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights326-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=326
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-326-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-326-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-326-45,avg2-326-45
FILE
the name of the file on which to output these quantities
=COLVAR326-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights326-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=326
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-326-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-326-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-326-50,avg2-326-50
FILE
the name of the file on which to output these quantities
=COLVAR326-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights326-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=326
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-326-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-326-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-326-55,avg2-326-55
FILE
the name of the file on which to output these quantities
=COLVAR326-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights326-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=326
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-326-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-326-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-326-60,avg2-326-60
FILE
the name of the file on which to output these quantities
=COLVAR326-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights326-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=326
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-326-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-326-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-326-65,avg2-326-65
FILE
the name of the file on which to output these quantities
=COLVAR326-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights326-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=326
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-326-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-326-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-326-70,avg2-326-70
FILE
the name of the file on which to output these quantities
=COLVAR326-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights326-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=326
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-326-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-326-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-326-75,avg2-326-75
FILE
the name of the file on which to output these quantities
=COLVAR326-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights326-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=326
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-326-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-326-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-326-80,avg2-326-80
FILE
the name of the file on which to output these quantities
=COLVAR326-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights326-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=326
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-326-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-326-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-326-85,avg2-326-85
FILE
the name of the file on which to output these quantities
=COLVAR326-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights326-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=326
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-326-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-326-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-326-90,avg2-326-90
FILE
the name of the file on which to output these quantities
=COLVAR326-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights326-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=326
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-326-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-326-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-326-95,avg2-326-95
FILE
the name of the file on which to output these quantities
=COLVAR326-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights326-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=326
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-326-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-326-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights326-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-326-100,avg2-326-100
FILE
the name of the file on which to output these quantities
=COLVAR326-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights328-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=328
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-328-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-328-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-328-0,avg2-328-0
FILE
the name of the file on which to output these quantities
=COLVAR328-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights328-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=328
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-328-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-328-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-328-5,avg2-328-5
FILE
the name of the file on which to output these quantities
=COLVAR328-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights328-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=328
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-328-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-328-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-328-10,avg2-328-10
FILE
the name of the file on which to output these quantities
=COLVAR328-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights328-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=328
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-328-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-328-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-328-15,avg2-328-15
FILE
the name of the file on which to output these quantities
=COLVAR328-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights328-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=328
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-328-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-328-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-328-20,avg2-328-20
FILE
the name of the file on which to output these quantities
=COLVAR328-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights328-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=328
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-328-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-328-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-328-25,avg2-328-25
FILE
the name of the file on which to output these quantities
=COLVAR328-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights328-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=328
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-328-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-328-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-328-30,avg2-328-30
FILE
the name of the file on which to output these quantities
=COLVAR328-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights328-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=328
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-328-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-328-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-328-35,avg2-328-35
FILE
the name of the file on which to output these quantities
=COLVAR328-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights328-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=328
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-328-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-328-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-328-40,avg2-328-40
FILE
the name of the file on which to output these quantities
=COLVAR328-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights328-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=328
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-328-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-328-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-328-45,avg2-328-45
FILE
the name of the file on which to output these quantities
=COLVAR328-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights328-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=328
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-328-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-328-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-328-50,avg2-328-50
FILE
the name of the file on which to output these quantities
=COLVAR328-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights328-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=328
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-328-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-328-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-328-55,avg2-328-55
FILE
the name of the file on which to output these quantities
=COLVAR328-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights328-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=328
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-328-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-328-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-328-60,avg2-328-60
FILE
the name of the file on which to output these quantities
=COLVAR328-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights328-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=328
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-328-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-328-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-328-65,avg2-328-65
FILE
the name of the file on which to output these quantities
=COLVAR328-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights328-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=328
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-328-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-328-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-328-70,avg2-328-70
FILE
the name of the file on which to output these quantities
=COLVAR328-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights328-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=328
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-328-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-328-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-328-75,avg2-328-75
FILE
the name of the file on which to output these quantities
=COLVAR328-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights328-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=328
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-328-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-328-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-328-80,avg2-328-80
FILE
the name of the file on which to output these quantities
=COLVAR328-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights328-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=328
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-328-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-328-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-328-85,avg2-328-85
FILE
the name of the file on which to output these quantities
=COLVAR328-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights328-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=328
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-328-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-328-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-328-90,avg2-328-90
FILE
the name of the file on which to output these quantities
=COLVAR328-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights328-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=328
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-328-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-328-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-328-95,avg2-328-95
FILE
the name of the file on which to output these quantities
=COLVAR328-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights328-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=328
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-328-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-328-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights328-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-328-100,avg2-328-100
FILE
the name of the file on which to output these quantities
=COLVAR328-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights330-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=330
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-330-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-330-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-330-0,avg2-330-0
FILE
the name of the file on which to output these quantities
=COLVAR330-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights330-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=330
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-330-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-330-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-330-5,avg2-330-5
FILE
the name of the file on which to output these quantities
=COLVAR330-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights330-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=330
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-330-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-330-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-330-10,avg2-330-10
FILE
the name of the file on which to output these quantities
=COLVAR330-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights330-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=330
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-330-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-330-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-330-15,avg2-330-15
FILE
the name of the file on which to output these quantities
=COLVAR330-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights330-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=330
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-330-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-330-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-330-20,avg2-330-20
FILE
the name of the file on which to output these quantities
=COLVAR330-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights330-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=330
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-330-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-330-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-330-25,avg2-330-25
FILE
the name of the file on which to output these quantities
=COLVAR330-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights330-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=330
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-330-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-330-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-330-30,avg2-330-30
FILE
the name of the file on which to output these quantities
=COLVAR330-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights330-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=330
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-330-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-330-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-330-35,avg2-330-35
FILE
the name of the file on which to output these quantities
=COLVAR330-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights330-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=330
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-330-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-330-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-330-40,avg2-330-40
FILE
the name of the file on which to output these quantities
=COLVAR330-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights330-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=330
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-330-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-330-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-330-45,avg2-330-45
FILE
the name of the file on which to output these quantities
=COLVAR330-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights330-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=330
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-330-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-330-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-330-50,avg2-330-50
FILE
the name of the file on which to output these quantities
=COLVAR330-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights330-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=330
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-330-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-330-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-330-55,avg2-330-55
FILE
the name of the file on which to output these quantities
=COLVAR330-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights330-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=330
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-330-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-330-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-330-60,avg2-330-60
FILE
the name of the file on which to output these quantities
=COLVAR330-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights330-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=330
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-330-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-330-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-330-65,avg2-330-65
FILE
the name of the file on which to output these quantities
=COLVAR330-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights330-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=330
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-330-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-330-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-330-70,avg2-330-70
FILE
the name of the file on which to output these quantities
=COLVAR330-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights330-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=330
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-330-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-330-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-330-75,avg2-330-75
FILE
the name of the file on which to output these quantities
=COLVAR330-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights330-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=330
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-330-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-330-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-330-80,avg2-330-80
FILE
the name of the file on which to output these quantities
=COLVAR330-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights330-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=330
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-330-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-330-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-330-85,avg2-330-85
FILE
the name of the file on which to output these quantities
=COLVAR330-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights330-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=330
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-330-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-330-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-330-90,avg2-330-90
FILE
the name of the file on which to output these quantities
=COLVAR330-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights330-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=330
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-330-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-330-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-330-95,avg2-330-95
FILE
the name of the file on which to output these quantities
=COLVAR330-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights330-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=330
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-330-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-330-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights330-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-330-100,avg2-330-100
FILE
the name of the file on which to output these quantities
=COLVAR330-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights332-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=332
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-332-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-332-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-332-0,avg2-332-0
FILE
the name of the file on which to output these quantities
=COLVAR332-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights332-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=332
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-332-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-332-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-332-5,avg2-332-5
FILE
the name of the file on which to output these quantities
=COLVAR332-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights332-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=332
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-332-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-332-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-332-10,avg2-332-10
FILE
the name of the file on which to output these quantities
=COLVAR332-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights332-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=332
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-332-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-332-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-332-15,avg2-332-15
FILE
the name of the file on which to output these quantities
=COLVAR332-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights332-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=332
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-332-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-332-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-332-20,avg2-332-20
FILE
the name of the file on which to output these quantities
=COLVAR332-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights332-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=332
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-332-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-332-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-332-25,avg2-332-25
FILE
the name of the file on which to output these quantities
=COLVAR332-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights332-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=332
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-332-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-332-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-332-30,avg2-332-30
FILE
the name of the file on which to output these quantities
=COLVAR332-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights332-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=332
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-332-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-332-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-332-35,avg2-332-35
FILE
the name of the file on which to output these quantities
=COLVAR332-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights332-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=332
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-332-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-332-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-332-40,avg2-332-40
FILE
the name of the file on which to output these quantities
=COLVAR332-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights332-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=332
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-332-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-332-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-332-45,avg2-332-45
FILE
the name of the file on which to output these quantities
=COLVAR332-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights332-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=332
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-332-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-332-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-332-50,avg2-332-50
FILE
the name of the file on which to output these quantities
=COLVAR332-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights332-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=332
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-332-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-332-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-332-55,avg2-332-55
FILE
the name of the file on which to output these quantities
=COLVAR332-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights332-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=332
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-332-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-332-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-332-60,avg2-332-60
FILE
the name of the file on which to output these quantities
=COLVAR332-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights332-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=332
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-332-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-332-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-332-65,avg2-332-65
FILE
the name of the file on which to output these quantities
=COLVAR332-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights332-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=332
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-332-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-332-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-332-70,avg2-332-70
FILE
the name of the file on which to output these quantities
=COLVAR332-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights332-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=332
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-332-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-332-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-332-75,avg2-332-75
FILE
the name of the file on which to output these quantities
=COLVAR332-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights332-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=332
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-332-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-332-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-332-80,avg2-332-80
FILE
the name of the file on which to output these quantities
=COLVAR332-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights332-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=332
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-332-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-332-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-332-85,avg2-332-85
FILE
the name of the file on which to output these quantities
=COLVAR332-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights332-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=332
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-332-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-332-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-332-90,avg2-332-90
FILE
the name of the file on which to output these quantities
=COLVAR332-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights332-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=332
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-332-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-332-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-332-95,avg2-332-95
FILE
the name of the file on which to output these quantities
=COLVAR332-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights332-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=332
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-332-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-332-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights332-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-332-100,avg2-332-100
FILE
the name of the file on which to output these quantities
=COLVAR332-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights334-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=334
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-334-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-334-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-334-0,avg2-334-0
FILE
the name of the file on which to output these quantities
=COLVAR334-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights334-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=334
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-334-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-334-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-334-5,avg2-334-5
FILE
the name of the file on which to output these quantities
=COLVAR334-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights334-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=334
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-334-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-334-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-334-10,avg2-334-10
FILE
the name of the file on which to output these quantities
=COLVAR334-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights334-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=334
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-334-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-334-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-334-15,avg2-334-15
FILE
the name of the file on which to output these quantities
=COLVAR334-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights334-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=334
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-334-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-334-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-334-20,avg2-334-20
FILE
the name of the file on which to output these quantities
=COLVAR334-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights334-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=334
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-334-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-334-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-334-25,avg2-334-25
FILE
the name of the file on which to output these quantities
=COLVAR334-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights334-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=334
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-334-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-334-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-334-30,avg2-334-30
FILE
the name of the file on which to output these quantities
=COLVAR334-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights334-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=334
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-334-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-334-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-334-35,avg2-334-35
FILE
the name of the file on which to output these quantities
=COLVAR334-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights334-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=334
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-334-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-334-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-334-40,avg2-334-40
FILE
the name of the file on which to output these quantities
=COLVAR334-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights334-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=334
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-334-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-334-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-334-45,avg2-334-45
FILE
the name of the file on which to output these quantities
=COLVAR334-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights334-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=334
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-334-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-334-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-334-50,avg2-334-50
FILE
the name of the file on which to output these quantities
=COLVAR334-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights334-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=334
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-334-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-334-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-334-55,avg2-334-55
FILE
the name of the file on which to output these quantities
=COLVAR334-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights334-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=334
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-334-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-334-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-334-60,avg2-334-60
FILE
the name of the file on which to output these quantities
=COLVAR334-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights334-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=334
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-334-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-334-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-334-65,avg2-334-65
FILE
the name of the file on which to output these quantities
=COLVAR334-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights334-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=334
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-334-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-334-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-334-70,avg2-334-70
FILE
the name of the file on which to output these quantities
=COLVAR334-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights334-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=334
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-334-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-334-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-334-75,avg2-334-75
FILE
the name of the file on which to output these quantities
=COLVAR334-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights334-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=334
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-334-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-334-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-334-80,avg2-334-80
FILE
the name of the file on which to output these quantities
=COLVAR334-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights334-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=334
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-334-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-334-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-334-85,avg2-334-85
FILE
the name of the file on which to output these quantities
=COLVAR334-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights334-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=334
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-334-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-334-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-334-90,avg2-334-90
FILE
the name of the file on which to output these quantities
=COLVAR334-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights334-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=334
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-334-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-334-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-334-95,avg2-334-95
FILE
the name of the file on which to output these quantities
=COLVAR334-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights334-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=334
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-334-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-334-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights334-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-334-100,avg2-334-100
FILE
the name of the file on which to output these quantities
=COLVAR334-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights336-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=336
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-336-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-336-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-336-0,avg2-336-0
FILE
the name of the file on which to output these quantities
=COLVAR336-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights336-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=336
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-336-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-336-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-336-5,avg2-336-5
FILE
the name of the file on which to output these quantities
=COLVAR336-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights336-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=336
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-336-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-336-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-336-10,avg2-336-10
FILE
the name of the file on which to output these quantities
=COLVAR336-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights336-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=336
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-336-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-336-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-336-15,avg2-336-15
FILE
the name of the file on which to output these quantities
=COLVAR336-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights336-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=336
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-336-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-336-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-336-20,avg2-336-20
FILE
the name of the file on which to output these quantities
=COLVAR336-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights336-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=336
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-336-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-336-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-336-25,avg2-336-25
FILE
the name of the file on which to output these quantities
=COLVAR336-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights336-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=336
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-336-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-336-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-336-30,avg2-336-30
FILE
the name of the file on which to output these quantities
=COLVAR336-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights336-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=336
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-336-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-336-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-336-35,avg2-336-35
FILE
the name of the file on which to output these quantities
=COLVAR336-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights336-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=336
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-336-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-336-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-336-40,avg2-336-40
FILE
the name of the file on which to output these quantities
=COLVAR336-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights336-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=336
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-336-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-336-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-336-45,avg2-336-45
FILE
the name of the file on which to output these quantities
=COLVAR336-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights336-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=336
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-336-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-336-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-336-50,avg2-336-50
FILE
the name of the file on which to output these quantities
=COLVAR336-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights336-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=336
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-336-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-336-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-336-55,avg2-336-55
FILE
the name of the file on which to output these quantities
=COLVAR336-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights336-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=336
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-336-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-336-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-336-60,avg2-336-60
FILE
the name of the file on which to output these quantities
=COLVAR336-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights336-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=336
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-336-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-336-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-336-65,avg2-336-65
FILE
the name of the file on which to output these quantities
=COLVAR336-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights336-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=336
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-336-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-336-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-336-70,avg2-336-70
FILE
the name of the file on which to output these quantities
=COLVAR336-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights336-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=336
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-336-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-336-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-336-75,avg2-336-75
FILE
the name of the file on which to output these quantities
=COLVAR336-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights336-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=336
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-336-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-336-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-336-80,avg2-336-80
FILE
the name of the file on which to output these quantities
=COLVAR336-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights336-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=336
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-336-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-336-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-336-85,avg2-336-85
FILE
the name of the file on which to output these quantities
=COLVAR336-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights336-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=336
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-336-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-336-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-336-90,avg2-336-90
FILE
the name of the file on which to output these quantities
=COLVAR336-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights336-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=336
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-336-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-336-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-336-95,avg2-336-95
FILE
the name of the file on which to output these quantities
=COLVAR336-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights336-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=336
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-336-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-336-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights336-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-336-100,avg2-336-100
FILE
the name of the file on which to output these quantities
=COLVAR336-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights338-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=338
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-338-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-338-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-338-0,avg2-338-0
FILE
the name of the file on which to output these quantities
=COLVAR338-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights338-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=338
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-338-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-338-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-338-5,avg2-338-5
FILE
the name of the file on which to output these quantities
=COLVAR338-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights338-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=338
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-338-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-338-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-338-10,avg2-338-10
FILE
the name of the file on which to output these quantities
=COLVAR338-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights338-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=338
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-338-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-338-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-338-15,avg2-338-15
FILE
the name of the file on which to output these quantities
=COLVAR338-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights338-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=338
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-338-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-338-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-338-20,avg2-338-20
FILE
the name of the file on which to output these quantities
=COLVAR338-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights338-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=338
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-338-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-338-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-338-25,avg2-338-25
FILE
the name of the file on which to output these quantities
=COLVAR338-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights338-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=338
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-338-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-338-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-338-30,avg2-338-30
FILE
the name of the file on which to output these quantities
=COLVAR338-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights338-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=338
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-338-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-338-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-338-35,avg2-338-35
FILE
the name of the file on which to output these quantities
=COLVAR338-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights338-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=338
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-338-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-338-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-338-40,avg2-338-40
FILE
the name of the file on which to output these quantities
=COLVAR338-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights338-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=338
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-338-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-338-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-338-45,avg2-338-45
FILE
the name of the file on which to output these quantities
=COLVAR338-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights338-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=338
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-338-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-338-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-338-50,avg2-338-50
FILE
the name of the file on which to output these quantities
=COLVAR338-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights338-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=338
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-338-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-338-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-338-55,avg2-338-55
FILE
the name of the file on which to output these quantities
=COLVAR338-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights338-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=338
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-338-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-338-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-338-60,avg2-338-60
FILE
the name of the file on which to output these quantities
=COLVAR338-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights338-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=338
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-338-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-338-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-338-65,avg2-338-65
FILE
the name of the file on which to output these quantities
=COLVAR338-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights338-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=338
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-338-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-338-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-338-70,avg2-338-70
FILE
the name of the file on which to output these quantities
=COLVAR338-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights338-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=338
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-338-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-338-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-338-75,avg2-338-75
FILE
the name of the file on which to output these quantities
=COLVAR338-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights338-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=338
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-338-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-338-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-338-80,avg2-338-80
FILE
the name of the file on which to output these quantities
=COLVAR338-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights338-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=338
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-338-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-338-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-338-85,avg2-338-85
FILE
the name of the file on which to output these quantities
=COLVAR338-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights338-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=338
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-338-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-338-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-338-90,avg2-338-90
FILE
the name of the file on which to output these quantities
=COLVAR338-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights338-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=338
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-338-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-338-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-338-95,avg2-338-95
FILE
the name of the file on which to output these quantities
=COLVAR338-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights338-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=338
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-338-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-338-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights338-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-338-100,avg2-338-100
FILE
the name of the file on which to output these quantities
=COLVAR338-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights340-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=340
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-340-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-340-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-340-0,avg2-340-0
FILE
the name of the file on which to output these quantities
=COLVAR340-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights340-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=340
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-340-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-340-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-340-5,avg2-340-5
FILE
the name of the file on which to output these quantities
=COLVAR340-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights340-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=340
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-340-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-340-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-340-10,avg2-340-10
FILE
the name of the file on which to output these quantities
=COLVAR340-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights340-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=340
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-340-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-340-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-340-15,avg2-340-15
FILE
the name of the file on which to output these quantities
=COLVAR340-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights340-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=340
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-340-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-340-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-340-20,avg2-340-20
FILE
the name of the file on which to output these quantities
=COLVAR340-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights340-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=340
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-340-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-340-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-340-25,avg2-340-25
FILE
the name of the file on which to output these quantities
=COLVAR340-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights340-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=340
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-340-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-340-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-340-30,avg2-340-30
FILE
the name of the file on which to output these quantities
=COLVAR340-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights340-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=340
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-340-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-340-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-340-35,avg2-340-35
FILE
the name of the file on which to output these quantities
=COLVAR340-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights340-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=340
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-340-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-340-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-340-40,avg2-340-40
FILE
the name of the file on which to output these quantities
=COLVAR340-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights340-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=340
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-340-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-340-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-340-45,avg2-340-45
FILE
the name of the file on which to output these quantities
=COLVAR340-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights340-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=340
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-340-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-340-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-340-50,avg2-340-50
FILE
the name of the file on which to output these quantities
=COLVAR340-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights340-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=340
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-340-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-340-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-340-55,avg2-340-55
FILE
the name of the file on which to output these quantities
=COLVAR340-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights340-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=340
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-340-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-340-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-340-60,avg2-340-60
FILE
the name of the file on which to output these quantities
=COLVAR340-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights340-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=340
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-340-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-340-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-340-65,avg2-340-65
FILE
the name of the file on which to output these quantities
=COLVAR340-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights340-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=340
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-340-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-340-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-340-70,avg2-340-70
FILE
the name of the file on which to output these quantities
=COLVAR340-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights340-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=340
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-340-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-340-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-340-75,avg2-340-75
FILE
the name of the file on which to output these quantities
=COLVAR340-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights340-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=340
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-340-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-340-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-340-80,avg2-340-80
FILE
the name of the file on which to output these quantities
=COLVAR340-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights340-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=340
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-340-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-340-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-340-85,avg2-340-85
FILE
the name of the file on which to output these quantities
=COLVAR340-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights340-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=340
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-340-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-340-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-340-90,avg2-340-90
FILE
the name of the file on which to output these quantities
=COLVAR340-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights340-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=340
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-340-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-340-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-340-95,avg2-340-95
FILE
the name of the file on which to output these quantities
=COLVAR340-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights340-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=340
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-340-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-340-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights340-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-340-100,avg2-340-100
FILE
the name of the file on which to output these quantities
=COLVAR340-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights342-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=342
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-342-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-342-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-342-0,avg2-342-0
FILE
the name of the file on which to output these quantities
=COLVAR342-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights342-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=342
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-342-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-342-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-342-5,avg2-342-5
FILE
the name of the file on which to output these quantities
=COLVAR342-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights342-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=342
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-342-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-342-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-342-10,avg2-342-10
FILE
the name of the file on which to output these quantities
=COLVAR342-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights342-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=342
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-342-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-342-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-342-15,avg2-342-15
FILE
the name of the file on which to output these quantities
=COLVAR342-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights342-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=342
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-342-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-342-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-342-20,avg2-342-20
FILE
the name of the file on which to output these quantities
=COLVAR342-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights342-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=342
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-342-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-342-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-342-25,avg2-342-25
FILE
the name of the file on which to output these quantities
=COLVAR342-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights342-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=342
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-342-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-342-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-342-30,avg2-342-30
FILE
the name of the file on which to output these quantities
=COLVAR342-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights342-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=342
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-342-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-342-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-342-35,avg2-342-35
FILE
the name of the file on which to output these quantities
=COLVAR342-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights342-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=342
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-342-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-342-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-342-40,avg2-342-40
FILE
the name of the file on which to output these quantities
=COLVAR342-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights342-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=342
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-342-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-342-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-342-45,avg2-342-45
FILE
the name of the file on which to output these quantities
=COLVAR342-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights342-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=342
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-342-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-342-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-342-50,avg2-342-50
FILE
the name of the file on which to output these quantities
=COLVAR342-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights342-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=342
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-342-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-342-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-342-55,avg2-342-55
FILE
the name of the file on which to output these quantities
=COLVAR342-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights342-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=342
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-342-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-342-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-342-60,avg2-342-60
FILE
the name of the file on which to output these quantities
=COLVAR342-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights342-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=342
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-342-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-342-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-342-65,avg2-342-65
FILE
the name of the file on which to output these quantities
=COLVAR342-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights342-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=342
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-342-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-342-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-342-70,avg2-342-70
FILE
the name of the file on which to output these quantities
=COLVAR342-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights342-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=342
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-342-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-342-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-342-75,avg2-342-75
FILE
the name of the file on which to output these quantities
=COLVAR342-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights342-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=342
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-342-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-342-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-342-80,avg2-342-80
FILE
the name of the file on which to output these quantities
=COLVAR342-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights342-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=342
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-342-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-342-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-342-85,avg2-342-85
FILE
the name of the file on which to output these quantities
=COLVAR342-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights342-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=342
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-342-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-342-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-342-90,avg2-342-90
FILE
the name of the file on which to output these quantities
=COLVAR342-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights342-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=342
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-342-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-342-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-342-95,avg2-342-95
FILE
the name of the file on which to output these quantities
=COLVAR342-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights342-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=342
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-342-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-342-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights342-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-342-100,avg2-342-100
FILE
the name of the file on which to output these quantities
=COLVAR342-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights344-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=344
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-344-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-344-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-344-0,avg2-344-0
FILE
the name of the file on which to output these quantities
=COLVAR344-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights344-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=344
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-344-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-344-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-344-5,avg2-344-5
FILE
the name of the file on which to output these quantities
=COLVAR344-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights344-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=344
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-344-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-344-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-344-10,avg2-344-10
FILE
the name of the file on which to output these quantities
=COLVAR344-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights344-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=344
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-344-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-344-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-344-15,avg2-344-15
FILE
the name of the file on which to output these quantities
=COLVAR344-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights344-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=344
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-344-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-344-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-344-20,avg2-344-20
FILE
the name of the file on which to output these quantities
=COLVAR344-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights344-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=344
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-344-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-344-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-344-25,avg2-344-25
FILE
the name of the file on which to output these quantities
=COLVAR344-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights344-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=344
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-344-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-344-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-344-30,avg2-344-30
FILE
the name of the file on which to output these quantities
=COLVAR344-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights344-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=344
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-344-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-344-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-344-35,avg2-344-35
FILE
the name of the file on which to output these quantities
=COLVAR344-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights344-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=344
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-344-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-344-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-344-40,avg2-344-40
FILE
the name of the file on which to output these quantities
=COLVAR344-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights344-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=344
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-344-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-344-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-344-45,avg2-344-45
FILE
the name of the file on which to output these quantities
=COLVAR344-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights344-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=344
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-344-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-344-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-344-50,avg2-344-50
FILE
the name of the file on which to output these quantities
=COLVAR344-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights344-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=344
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-344-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-344-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-344-55,avg2-344-55
FILE
the name of the file on which to output these quantities
=COLVAR344-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights344-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=344
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-344-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-344-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-344-60,avg2-344-60
FILE
the name of the file on which to output these quantities
=COLVAR344-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights344-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=344
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-344-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-344-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-344-65,avg2-344-65
FILE
the name of the file on which to output these quantities
=COLVAR344-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights344-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=344
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-344-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-344-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-344-70,avg2-344-70
FILE
the name of the file on which to output these quantities
=COLVAR344-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights344-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=344
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-344-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-344-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-344-75,avg2-344-75
FILE
the name of the file on which to output these quantities
=COLVAR344-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights344-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=344
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-344-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-344-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-344-80,avg2-344-80
FILE
the name of the file on which to output these quantities
=COLVAR344-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights344-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=344
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-344-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-344-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-344-85,avg2-344-85
FILE
the name of the file on which to output these quantities
=COLVAR344-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights344-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=344
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-344-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-344-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-344-90,avg2-344-90
FILE
the name of the file on which to output these quantities
=COLVAR344-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights344-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=344
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-344-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-344-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-344-95,avg2-344-95
FILE
the name of the file on which to output these quantities
=COLVAR344-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights344-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=344
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-344-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-344-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights344-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-344-100,avg2-344-100
FILE
the name of the file on which to output these quantities
=COLVAR344-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights346-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=346
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-346-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-346-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-346-0,avg2-346-0
FILE
the name of the file on which to output these quantities
=COLVAR346-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights346-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=346
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-346-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-346-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-346-5,avg2-346-5
FILE
the name of the file on which to output these quantities
=COLVAR346-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights346-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=346
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-346-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-346-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-346-10,avg2-346-10
FILE
the name of the file on which to output these quantities
=COLVAR346-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights346-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=346
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-346-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-346-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-346-15,avg2-346-15
FILE
the name of the file on which to output these quantities
=COLVAR346-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights346-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=346
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-346-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-346-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-346-20,avg2-346-20
FILE
the name of the file on which to output these quantities
=COLVAR346-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights346-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=346
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-346-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-346-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-346-25,avg2-346-25
FILE
the name of the file on which to output these quantities
=COLVAR346-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights346-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=346
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-346-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-346-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-346-30,avg2-346-30
FILE
the name of the file on which to output these quantities
=COLVAR346-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights346-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=346
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-346-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-346-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-346-35,avg2-346-35
FILE
the name of the file on which to output these quantities
=COLVAR346-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights346-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=346
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-346-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-346-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-346-40,avg2-346-40
FILE
the name of the file on which to output these quantities
=COLVAR346-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights346-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=346
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-346-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-346-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-346-45,avg2-346-45
FILE
the name of the file on which to output these quantities
=COLVAR346-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights346-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=346
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-346-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-346-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-346-50,avg2-346-50
FILE
the name of the file on which to output these quantities
=COLVAR346-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights346-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=346
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-346-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-346-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-346-55,avg2-346-55
FILE
the name of the file on which to output these quantities
=COLVAR346-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights346-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=346
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-346-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-346-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-346-60,avg2-346-60
FILE
the name of the file on which to output these quantities
=COLVAR346-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights346-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=346
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-346-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-346-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-346-65,avg2-346-65
FILE
the name of the file on which to output these quantities
=COLVAR346-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights346-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=346
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-346-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-346-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-346-70,avg2-346-70
FILE
the name of the file on which to output these quantities
=COLVAR346-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights346-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=346
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-346-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-346-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-346-75,avg2-346-75
FILE
the name of the file on which to output these quantities
=COLVAR346-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights346-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=346
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-346-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-346-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-346-80,avg2-346-80
FILE
the name of the file on which to output these quantities
=COLVAR346-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights346-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=346
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-346-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-346-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-346-85,avg2-346-85
FILE
the name of the file on which to output these quantities
=COLVAR346-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights346-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=346
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-346-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-346-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-346-90,avg2-346-90
FILE
the name of the file on which to output these quantities
=COLVAR346-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights346-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=346
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-346-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-346-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-346-95,avg2-346-95
FILE
the name of the file on which to output these quantities
=COLVAR346-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights346-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=346
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-346-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-346-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights346-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-346-100,avg2-346-100
FILE
the name of the file on which to output these quantities
=COLVAR346-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights348-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=348
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-348-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-348-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-348-0,avg2-348-0
FILE
the name of the file on which to output these quantities
=COLVAR348-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights348-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=348
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-348-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-348-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-348-5,avg2-348-5
FILE
the name of the file on which to output these quantities
=COLVAR348-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights348-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=348
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-348-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-348-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-348-10,avg2-348-10
FILE
the name of the file on which to output these quantities
=COLVAR348-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights348-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=348
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-348-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-348-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-348-15,avg2-348-15
FILE
the name of the file on which to output these quantities
=COLVAR348-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights348-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=348
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-348-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-348-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-348-20,avg2-348-20
FILE
the name of the file on which to output these quantities
=COLVAR348-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights348-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=348
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-348-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-348-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-348-25,avg2-348-25
FILE
the name of the file on which to output these quantities
=COLVAR348-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights348-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=348
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-348-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-348-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-348-30,avg2-348-30
FILE
the name of the file on which to output these quantities
=COLVAR348-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights348-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=348
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-348-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-348-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-348-35,avg2-348-35
FILE
the name of the file on which to output these quantities
=COLVAR348-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights348-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=348
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-348-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-348-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-348-40,avg2-348-40
FILE
the name of the file on which to output these quantities
=COLVAR348-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights348-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=348
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-348-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-348-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-348-45,avg2-348-45
FILE
the name of the file on which to output these quantities
=COLVAR348-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights348-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=348
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-348-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-348-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-348-50,avg2-348-50
FILE
the name of the file on which to output these quantities
=COLVAR348-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights348-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=348
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-348-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-348-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-348-55,avg2-348-55
FILE
the name of the file on which to output these quantities
=COLVAR348-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights348-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=348
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-348-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-348-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-348-60,avg2-348-60
FILE
the name of the file on which to output these quantities
=COLVAR348-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights348-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=348
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-348-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-348-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-348-65,avg2-348-65
FILE
the name of the file on which to output these quantities
=COLVAR348-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights348-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=348
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-348-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-348-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-348-70,avg2-348-70
FILE
the name of the file on which to output these quantities
=COLVAR348-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights348-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=348
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-348-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-348-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-348-75,avg2-348-75
FILE
the name of the file on which to output these quantities
=COLVAR348-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights348-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=348
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-348-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-348-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-348-80,avg2-348-80
FILE
the name of the file on which to output these quantities
=COLVAR348-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights348-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=348
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-348-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-348-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-348-85,avg2-348-85
FILE
the name of the file on which to output these quantities
=COLVAR348-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights348-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=348
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-348-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-348-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-348-90,avg2-348-90
FILE
the name of the file on which to output these quantities
=COLVAR348-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights348-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=348
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-348-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-348-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-348-95,avg2-348-95
FILE
the name of the file on which to output these quantities
=COLVAR348-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights348-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=348
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-348-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-348-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights348-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-348-100,avg2-348-100
FILE
the name of the file on which to output these quantities
=COLVAR348-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=350
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-350-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-350-0:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-0
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-350-0,avg2-350-0
FILE
the name of the file on which to output these quantities
=COLVAR350-0
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-5:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=350
REWEIGHT_PRESSURE
Reweighting pressure
=3.0110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-350-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-350-5:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-5
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-350-5,avg2-350-5
FILE
the name of the file on which to output these quantities
=COLVAR350-5
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-10:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=350
REWEIGHT_PRESSURE
Reweighting pressure
=6.022140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-350-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-350-10:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-10
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-350-10,avg2-350-10
FILE
the name of the file on which to output these quantities
=COLVAR350-10
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-15:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=350
REWEIGHT_PRESSURE
Reweighting pressure
=9.0332112855
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-350-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-350-15:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-15
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-350-15,avg2-350-15
FILE
the name of the file on which to output these quantities
=COLVAR350-15
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-20:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=350
REWEIGHT_PRESSURE
Reweighting pressure
=12.044281714
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-350-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-350-20:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-20
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-350-20,avg2-350-20
FILE
the name of the file on which to output these quantities
=COLVAR350-20
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-25:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=350
REWEIGHT_PRESSURE
Reweighting pressure
=15.0553521425
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-350-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-350-25:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-25
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-350-25,avg2-350-25
FILE
the name of the file on which to output these quantities
=COLVAR350-25
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-30:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=350
REWEIGHT_PRESSURE
Reweighting pressure
=18.066422571
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-350-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-350-30:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-30
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-350-30,avg2-350-30
FILE
the name of the file on which to output these quantities
=COLVAR350-30
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-35:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=350
REWEIGHT_PRESSURE
Reweighting pressure
=21.0774929995
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-350-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-350-35:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-35
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-350-35,avg2-350-35
FILE
the name of the file on which to output these quantities
=COLVAR350-35
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-40:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=350
REWEIGHT_PRESSURE
Reweighting pressure
=24.088563428
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-350-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-350-40:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-40
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-350-40,avg2-350-40
FILE
the name of the file on which to output these quantities
=COLVAR350-40
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-45:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=350
REWEIGHT_PRESSURE
Reweighting pressure
=27.0996338565
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-350-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-350-45:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-45
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-350-45,avg2-350-45
FILE
the name of the file on which to output these quantities
=COLVAR350-45
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-50:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=350
REWEIGHT_PRESSURE
Reweighting pressure
=30.110704285
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-350-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-350-50:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-50
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-350-50,avg2-350-50
FILE
the name of the file on which to output these quantities
=COLVAR350-50
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-55:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=350
REWEIGHT_PRESSURE
Reweighting pressure
=33.1217747135
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-350-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-350-55:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-55
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-350-55,avg2-350-55
FILE
the name of the file on which to output these quantities
=COLVAR350-55
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-60:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=350
REWEIGHT_PRESSURE
Reweighting pressure
=36.132845142
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-350-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-350-60:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-60
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-350-60,avg2-350-60
FILE
the name of the file on which to output these quantities
=COLVAR350-60
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-65:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=350
REWEIGHT_PRESSURE
Reweighting pressure
=39.1439155705
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-350-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-350-65:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-65
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-350-65,avg2-350-65
FILE
the name of the file on which to output these quantities
=COLVAR350-65
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-70:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=350
REWEIGHT_PRESSURE
Reweighting pressure
=42.154985999
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-350-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-350-70:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-70
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-350-70,avg2-350-70
FILE
the name of the file on which to output these quantities
=COLVAR350-70
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-75:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=350
REWEIGHT_PRESSURE
Reweighting pressure
=45.1660564275
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-350-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-350-75:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-75
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-350-75,avg2-350-75
FILE
the name of the file on which to output these quantities
=COLVAR350-75
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-80:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=350
REWEIGHT_PRESSURE
Reweighting pressure
=48.177126856
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-350-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-350-80:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-80
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-350-80,avg2-350-80
FILE
the name of the file on which to output these quantities
=COLVAR350-80
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-85:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=350
REWEIGHT_PRESSURE
Reweighting pressure
=51.1881972845
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-350-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-350-85:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-85
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-350-85,avg2-350-85
FILE
the name of the file on which to output these quantities
=COLVAR350-85
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-90:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=350
REWEIGHT_PRESSURE
Reweighting pressure
=54.199267713
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-350-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-350-90:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-90
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-350-90,avg2-350-90
FILE
the name of the file on which to output these quantities
=COLVAR350-90
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-95:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=350
REWEIGHT_PRESSURE
Reweighting pressure
=57.2103381415
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-350-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-350-95:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-95
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-350-95,avg2-350-95
FILE
the name of the file on which to output these quantities
=COLVAR350-95
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-100:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=300
PRESSURE
The system pressure
=0.06022140857
REWEIGHT_TEMP
Reweighting temperature
=350
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=rvol avg-350-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=vol
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-350-100:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the quantity that is being averaged
=energy
LOGWEIGHTS
the logarithm of the quantity to use as the weights when calculating averages
=weights,weights350-100
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-350-100,avg2-350-100
FILE
the name of the file on which to output these quantities
=COLVAR350-100
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f