Project ID: plumID:19.044
Source: MultithermalMultibaricSimulations/MultithermalMultibaric/Analysis/Reweight-50MPa/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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-260:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-260
FILE
the name of the file on which to output these quantities
=COLVAR260
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-262:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-262
FILE
the name of the file on which to output these quantities
=COLVAR262
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-264:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-264
FILE
the name of the file on which to output these quantities
=COLVAR264
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-266:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-266
FILE
the name of the file on which to output these quantities
=COLVAR266
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-268:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-268
FILE
the name of the file on which to output these quantities
=COLVAR268
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-270:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-270
FILE
the name of the file on which to output these quantities
=COLVAR270
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-272:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-272
FILE
the name of the file on which to output these quantities
=COLVAR272
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-274:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-274
FILE
the name of the file on which to output these quantities
=COLVAR274
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-276:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-276
FILE
the name of the file on which to output these quantities
=COLVAR276
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-278:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-278
FILE
the name of the file on which to output these quantities
=COLVAR278
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-280:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-280
FILE
the name of the file on which to output these quantities
=COLVAR280
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-282:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-282
FILE
the name of the file on which to output these quantities
=COLVAR282
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-284:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-284
FILE
the name of the file on which to output these quantities
=COLVAR284
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-286:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-286
FILE
the name of the file on which to output these quantities
=COLVAR286
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-288:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-288
FILE
the name of the file on which to output these quantities
=COLVAR288
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-290:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-290
FILE
the name of the file on which to output these quantities
=COLVAR290
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-292:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-292
FILE
the name of the file on which to output these quantities
=COLVAR292
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-294:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-294
FILE
the name of the file on which to output these quantities
=COLVAR294
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-296:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-296
FILE
the name of the file on which to output these quantities
=COLVAR296
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-298:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-298
FILE
the name of the file on which to output these quantities
=COLVAR298
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-300:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-300
FILE
the name of the file on which to output these quantities
=COLVAR300
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-302:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-302
FILE
the name of the file on which to output these quantities
=COLVAR302
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-304:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-304
FILE
the name of the file on which to output these quantities
=COLVAR304
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-306:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-306
FILE
the name of the file on which to output these quantities
=COLVAR306
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-308:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-308
FILE
the name of the file on which to output these quantities
=COLVAR308
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-310:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-310
FILE
the name of the file on which to output these quantities
=COLVAR310
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-312:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-312
FILE
the name of the file on which to output these quantities
=COLVAR312
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-314:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-314
FILE
the name of the file on which to output these quantities
=COLVAR314
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-316:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-316
FILE
the name of the file on which to output these quantities
=COLVAR316
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-318:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-318
FILE
the name of the file on which to output these quantities
=COLVAR318
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-320:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-320
FILE
the name of the file on which to output these quantities
=COLVAR320
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-322:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-322
FILE
the name of the file on which to output these quantities
=COLVAR322
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-324:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-324
FILE
the name of the file on which to output these quantities
=COLVAR324
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-326:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-326
FILE
the name of the file on which to output these quantities
=COLVAR326
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-328:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-328
FILE
the name of the file on which to output these quantities
=COLVAR328
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-330:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-330
FILE
the name of the file on which to output these quantities
=COLVAR330
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-332:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-332
FILE
the name of the file on which to output these quantities
=COLVAR332
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-334:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-334
FILE
the name of the file on which to output these quantities
=COLVAR334
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-336:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-336
FILE
the name of the file on which to output these quantities
=COLVAR336
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-338:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-338
FILE
the name of the file on which to output these quantities
=COLVAR338
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-340:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-340
FILE
the name of the file on which to output these quantities
=COLVAR340
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-342:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-342
FILE
the name of the file on which to output these quantities
=COLVAR342
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-344:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-344
FILE
the name of the file on which to output these quantities
=COLVAR344
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-346:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-346
FILE
the name of the file on which to output these quantities
=COLVAR346
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-348:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-348
FILE
the name of the file on which to output these quantities
=COLVAR348
STRIDE
the 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:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different 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:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000 avg2-350:
AVERAGE
Calculate the ensemble average of a collective variable More 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
CLEAR
the frequency with whihc to clear the data that is being averaged
=10000
PRINT
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,avg2-350
FILE
the name of the file on which to output these quantities
=COLVAR350
STRIDE
the frequency with which the quantities of interest should be output
=10000
FMT
the format that should be used to output real numbers
=%16.10f