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
 |
 |
# vim:ft=plumedEnables syntax highlighting for PLUMED files in vim. See here for more details.
energy:READRead quantities from a colvar file. More detailsFILE=../COLVARtrimthe name of the file from which to read these quantitiesVALUES=energythe values to read from the fileIGNORE_TIMEb1:ignore the time in the colvar fileREADRead quantities from a colvar file. More detailsFILE=../COLVARtrimthe name of the file from which to read these quantitiesVALUES=b1.biasthe values to read from the fileIGNORE_TIMEignore the time in the colvar file
energyshift:COMBINECalculate a polynomial combination of a set of other variables. More detailsARG=energythe input to this functionPARAMETERS=-24300the parameters of the arguments in your functionPERIODIC=NO weights:if the output of your function is periodic then you should specify the periodicity of the functionREWEIGHT_BIASCalculate weights for ensemble averages that negate the effect the bias has on the region of phase space explored More detailsTEMP=500the system temperatureARG=b1.biasthe biases that must be taken into account when reweightingPrint quantities to a file. More detailsARGthe input for this action is the scalar output from one or more other actionsFILE=COLVARthe name of the file on which to output these quantitiesSTRIDE=1the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights400:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=400Reweighting temperatureENERGY=energyshift avg-400:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights400the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-400,weights,weights400the input for this action is the scalar output from one or more other actionsFILE=COLVAR400the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights405:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=405Reweighting temperatureENERGY=energyshift avg-405:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights405the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-405,weights,weights405the input for this action is the scalar output from one or more other actionsFILE=COLVAR405the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights410:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=410Reweighting temperatureENERGY=energyshift avg-410:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights410the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-410,weights,weights410the input for this action is the scalar output from one or more other actionsFILE=COLVAR410the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights415:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=415Reweighting temperatureENERGY=energyshift avg-415:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights415the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-415,weights,weights415the input for this action is the scalar output from one or more other actionsFILE=COLVAR415the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights420:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=420Reweighting temperatureENERGY=energyshift avg-420:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights420the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-420,weights,weights420the input for this action is the scalar output from one or more other actionsFILE=COLVAR420the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights425:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=425Reweighting temperatureENERGY=energyshift avg-425:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights425the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-425,weights,weights425the input for this action is the scalar output from one or more other actionsFILE=COLVAR425the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights430:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=430Reweighting temperatureENERGY=energyshift avg-430:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights430the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-430,weights,weights430the input for this action is the scalar output from one or more other actionsFILE=COLVAR430the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights435:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=435Reweighting temperatureENERGY=energyshift avg-435:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights435the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-435,weights,weights435the input for this action is the scalar output from one or more other actionsFILE=COLVAR435the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights440:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=440Reweighting temperatureENERGY=energyshift avg-440:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights440the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-440,weights,weights440the input for this action is the scalar output from one or more other actionsFILE=COLVAR440the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights445:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=445Reweighting temperatureENERGY=energyshift avg-445:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights445the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-445,weights,weights445the input for this action is the scalar output from one or more other actionsFILE=COLVAR445the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights450:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=450Reweighting temperatureENERGY=energyshift avg-450:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights450the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-450,weights,weights450the input for this action is the scalar output from one or more other actionsFILE=COLVAR450the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights455:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=455Reweighting temperatureENERGY=energyshift avg-455:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights455the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-455,weights,weights455the input for this action is the scalar output from one or more other actionsFILE=COLVAR455the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights460:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=460Reweighting temperatureENERGY=energyshift avg-460:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights460the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-460,weights,weights460the input for this action is the scalar output from one or more other actionsFILE=COLVAR460the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights465:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=465Reweighting temperatureENERGY=energyshift avg-465:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights465the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-465,weights,weights465the input for this action is the scalar output from one or more other actionsFILE=COLVAR465the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights470:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=470Reweighting temperatureENERGY=energyshift avg-470:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights470the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-470,weights,weights470the input for this action is the scalar output from one or more other actionsFILE=COLVAR470the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights475:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=475Reweighting temperatureENERGY=energyshift avg-475:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights475the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-475,weights,weights475the input for this action is the scalar output from one or more other actionsFILE=COLVAR475the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights480:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=480Reweighting temperatureENERGY=energyshift avg-480:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights480the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-480,weights,weights480the input for this action is the scalar output from one or more other actionsFILE=COLVAR480the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights485:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=485Reweighting temperatureENERGY=energyshift avg-485:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights485the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-485,weights,weights485the input for this action is the scalar output from one or more other actionsFILE=COLVAR485the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights490:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=490Reweighting temperatureENERGY=energyshift avg-490:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights490the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-490,weights,weights490the input for this action is the scalar output from one or more other actionsFILE=COLVAR490the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights495:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=495Reweighting temperatureENERGY=energyshift avg-495:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights495the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-495,weights,weights495the input for this action is the scalar output from one or more other actionsFILE=COLVAR495the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights500:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=500Reweighting temperatureENERGY=energyshift avg-500:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights500the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-500,weights,weights500the input for this action is the scalar output from one or more other actionsFILE=COLVAR500the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights505:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=505Reweighting temperatureENERGY=energyshift avg-505:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights505the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-505,weights,weights505the input for this action is the scalar output from one or more other actionsFILE=COLVAR505the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights510:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=510Reweighting temperatureENERGY=energyshift avg-510:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights510the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-510,weights,weights510the input for this action is the scalar output from one or more other actionsFILE=COLVAR510the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights515:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=515Reweighting temperatureENERGY=energyshift avg-515:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights515the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-515,weights,weights515the input for this action is the scalar output from one or more other actionsFILE=COLVAR515the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights520:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=520Reweighting temperatureENERGY=energyshift avg-520:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights520the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-520,weights,weights520the input for this action is the scalar output from one or more other actionsFILE=COLVAR520the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights525:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=525Reweighting temperatureENERGY=energyshift avg-525:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights525the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-525,weights,weights525the input for this action is the scalar output from one or more other actionsFILE=COLVAR525the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights530:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=530Reweighting temperatureENERGY=energyshift avg-530:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights530the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-530,weights,weights530the input for this action is the scalar output from one or more other actionsFILE=COLVAR530the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights535:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=535Reweighting temperatureENERGY=energyshift avg-535:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights535the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-535,weights,weights535the input for this action is the scalar output from one or more other actionsFILE=COLVAR535the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights540:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=540Reweighting temperatureENERGY=energyshift avg-540:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights540the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-540,weights,weights540the input for this action is the scalar output from one or more other actionsFILE=COLVAR540the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights545:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=545Reweighting temperatureENERGY=energyshift avg-545:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights545the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-545,weights,weights545the input for this action is the scalar output from one or more other actionsFILE=COLVAR545the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights550:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=550Reweighting temperatureENERGY=energyshift avg-550:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights550the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-550,weights,weights550the input for this action is the scalar output from one or more other actionsFILE=COLVAR550the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights555:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=555Reweighting temperatureENERGY=energyshift avg-555:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights555the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-555,weights,weights555the input for this action is the scalar output from one or more other actionsFILE=COLVAR555the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights560:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=560Reweighting temperatureENERGY=energyshift avg-560:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights560the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-560,weights,weights560the input for this action is the scalar output from one or more other actionsFILE=COLVAR560the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights565:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=565Reweighting temperatureENERGY=energyshift avg-565:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights565the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-565,weights,weights565the input for this action is the scalar output from one or more other actionsFILE=COLVAR565the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights570:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=570Reweighting temperatureENERGY=energyshift avg-570:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights570the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-570,weights,weights570the input for this action is the scalar output from one or more other actionsFILE=COLVAR570the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights575:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=575Reweighting temperatureENERGY=energyshift avg-575:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights575the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-575,weights,weights575the input for this action is the scalar output from one or more other actionsFILE=COLVAR575the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights580:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=580Reweighting temperatureENERGY=energyshift avg-580:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights580the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-580,weights,weights580the input for this action is the scalar output from one or more other actionsFILE=COLVAR580the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights585:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=585Reweighting temperatureENERGY=energyshift avg-585:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights585the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-585,weights,weights585the input for this action is the scalar output from one or more other actionsFILE=COLVAR585the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights590:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=590Reweighting temperatureENERGY=energyshift avg-590:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights590the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-590,weights,weights590the input for this action is the scalar output from one or more other actionsFILE=COLVAR590the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights595:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=595Reweighting temperatureENERGY=energyshift avg-595:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights595the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-595,weights,weights595the input for this action is the scalar output from one or more other actionsFILE=COLVAR595the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers
weights600:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=500the system temperatureREWEIGHT_TEMP=600Reweighting temperatureENERGY=energyshift avg-600:EnergyAVERAGECalculate the ensemble average of a collective variable More detailsARG=energythe quantity that is being averagedLOGWEIGHTS=weights,weights600the logarithm of the quantity to use as the weights when calculating averagesCLEAR=2000the frequency with whihc to clear the data that is being averagedPrint quantities to a file. More detailsARG=avg-600,weights,weights600the input for this action is the scalar output from one or more other actionsFILE=COLVAR600the name of the file on which to output these quantitiesSTRIDE=2000the frequency with which the quantities of interest should be outputFMT=%16.10fthe format that should be used to output real numbers