Project ID: plumID:19.027
Source: MulticanonicalSimulations/Multicanonical/Analysis/Reweight/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 onv2.8
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
=energy
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

energyshift:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
PARAMETERS
the parameters of the arguments in your function
=-24300
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
=500
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
weights400:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=400
ENERGY
Energy
=energyshift avg-400:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights400
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-400,weights,weights400
FILE
the name of the file on which to output these quantities
=COLVAR400
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights405:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=405
ENERGY
Energy
=energyshift avg-405:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights405
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-405,weights,weights405
FILE
the name of the file on which to output these quantities
=COLVAR405
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights410:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=410
ENERGY
Energy
=energyshift avg-410:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights410
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-410,weights,weights410
FILE
the name of the file on which to output these quantities
=COLVAR410
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights415:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=415
ENERGY
Energy
=energyshift avg-415:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights415
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-415,weights,weights415
FILE
the name of the file on which to output these quantities
=COLVAR415
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights420:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=420
ENERGY
Energy
=energyshift avg-420:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights420
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-420,weights,weights420
FILE
the name of the file on which to output these quantities
=COLVAR420
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights425:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=425
ENERGY
Energy
=energyshift avg-425:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights425
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-425,weights,weights425
FILE
the name of the file on which to output these quantities
=COLVAR425
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights430:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=430
ENERGY
Energy
=energyshift avg-430:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights430
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-430,weights,weights430
FILE
the name of the file on which to output these quantities
=COLVAR430
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights435:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=435
ENERGY
Energy
=energyshift avg-435:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights435
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-435,weights,weights435
FILE
the name of the file on which to output these quantities
=COLVAR435
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights440:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=440
ENERGY
Energy
=energyshift avg-440:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights440
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-440,weights,weights440
FILE
the name of the file on which to output these quantities
=COLVAR440
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights445:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=445
ENERGY
Energy
=energyshift avg-445:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights445
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-445,weights,weights445
FILE
the name of the file on which to output these quantities
=COLVAR445
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights450:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=450
ENERGY
Energy
=energyshift avg-450:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights450
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-450,weights,weights450
FILE
the name of the file on which to output these quantities
=COLVAR450
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights455:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=455
ENERGY
Energy
=energyshift avg-455:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights455
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-455,weights,weights455
FILE
the name of the file on which to output these quantities
=COLVAR455
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights460:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=460
ENERGY
Energy
=energyshift avg-460:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights460
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-460,weights,weights460
FILE
the name of the file on which to output these quantities
=COLVAR460
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights465:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=465
ENERGY
Energy
=energyshift avg-465:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights465
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-465,weights,weights465
FILE
the name of the file on which to output these quantities
=COLVAR465
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights470:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=470
ENERGY
Energy
=energyshift avg-470:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights470
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-470,weights,weights470
FILE
the name of the file on which to output these quantities
=COLVAR470
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights475:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=475
ENERGY
Energy
=energyshift avg-475:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights475
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-475,weights,weights475
FILE
the name of the file on which to output these quantities
=COLVAR475
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights480:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=480
ENERGY
Energy
=energyshift avg-480:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights480
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-480,weights,weights480
FILE
the name of the file on which to output these quantities
=COLVAR480
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights485:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=485
ENERGY
Energy
=energyshift avg-485:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights485
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-485,weights,weights485
FILE
the name of the file on which to output these quantities
=COLVAR485
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights490:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=490
ENERGY
Energy
=energyshift avg-490:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights490
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-490,weights,weights490
FILE
the name of the file on which to output these quantities
=COLVAR490
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights495:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=495
ENERGY
Energy
=energyshift avg-495:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights495
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-495,weights,weights495
FILE
the name of the file on which to output these quantities
=COLVAR495
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights500:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=500
ENERGY
Energy
=energyshift avg-500:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights500
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-500,weights,weights500
FILE
the name of the file on which to output these quantities
=COLVAR500
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights505:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=505
ENERGY
Energy
=energyshift avg-505:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights505
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-505,weights,weights505
FILE
the name of the file on which to output these quantities
=COLVAR505
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights510:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=510
ENERGY
Energy
=energyshift avg-510:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights510
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-510,weights,weights510
FILE
the name of the file on which to output these quantities
=COLVAR510
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights515:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=515
ENERGY
Energy
=energyshift avg-515:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights515
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-515,weights,weights515
FILE
the name of the file on which to output these quantities
=COLVAR515
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights520:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=520
ENERGY
Energy
=energyshift avg-520:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights520
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-520,weights,weights520
FILE
the name of the file on which to output these quantities
=COLVAR520
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights525:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=525
ENERGY
Energy
=energyshift avg-525:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights525
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-525,weights,weights525
FILE
the name of the file on which to output these quantities
=COLVAR525
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights530:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=530
ENERGY
Energy
=energyshift avg-530:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights530
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-530,weights,weights530
FILE
the name of the file on which to output these quantities
=COLVAR530
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights535:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=535
ENERGY
Energy
=energyshift avg-535:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights535
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-535,weights,weights535
FILE
the name of the file on which to output these quantities
=COLVAR535
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights540:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=540
ENERGY
Energy
=energyshift avg-540:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights540
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-540,weights,weights540
FILE
the name of the file on which to output these quantities
=COLVAR540
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights545:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=545
ENERGY
Energy
=energyshift avg-545:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights545
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-545,weights,weights545
FILE
the name of the file on which to output these quantities
=COLVAR545
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights550:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=550
ENERGY
Energy
=energyshift avg-550:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights550
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-550,weights,weights550
FILE
the name of the file on which to output these quantities
=COLVAR550
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights555:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=555
ENERGY
Energy
=energyshift avg-555:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights555
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-555,weights,weights555
FILE
the name of the file on which to output these quantities
=COLVAR555
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights560:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=560
ENERGY
Energy
=energyshift avg-560:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights560
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-560,weights,weights560
FILE
the name of the file on which to output these quantities
=COLVAR560
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights565:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=565
ENERGY
Energy
=energyshift avg-565:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights565
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-565,weights,weights565
FILE
the name of the file on which to output these quantities
=COLVAR565
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights570:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=570
ENERGY
Energy
=energyshift avg-570:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights570
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-570,weights,weights570
FILE
the name of the file on which to output these quantities
=COLVAR570
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights575:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=575
ENERGY
Energy
=energyshift avg-575:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights575
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-575,weights,weights575
FILE
the name of the file on which to output these quantities
=COLVAR575
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights580:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=580
ENERGY
Energy
=energyshift avg-580:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights580
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-580,weights,weights580
FILE
the name of the file on which to output these quantities
=COLVAR580
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights585:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=585
ENERGY
Energy
=energyshift avg-585:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights585
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-585,weights,weights585
FILE
the name of the file on which to output these quantities
=COLVAR585
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights590:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=590
ENERGY
Energy
=energyshift avg-590:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights590
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-590,weights,weights590
FILE
the name of the file on which to output these quantities
=COLVAR590
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights595:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=595
ENERGY
Energy
=energyshift avg-595:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights595
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-595,weights,weights595
FILE
the name of the file on which to output these quantities
=COLVAR595
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f
weights600:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=500
REWEIGHT_TEMP
Reweighting temperature
=600
ENERGY
Energy
=energyshift avg-600:
AVERAGE
Calculate the ensemble average of a collective variable More details
ARG
the input for this action is the scalar output from one or more other actions
=energy
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights,weights600
CLEAR
the frequency with which to clear all the accumulated data
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=avg-600,weights,weights600
FILE
the name of the file on which to output these quantities
=COLVAR600
STRIDE
the frequency with which the quantities of interest should be output
=2000
FMT
the format that should be used to output real numbers
=%16.10f