Project ID: plumID:19.081
Source: Na/03_MultithermalMultibaric/Reweight/plumed.dat
Originally used with PLUMED version: 2.6-dev
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
# 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_TIMEuwall: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=uwall.biasthe values to read from the fileIGNORE_TIMErefcv: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=refcv.morethanthe values to read from the fileIGNORE_TIMEvoltmp: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=volthe values to read from the fileIGNORE_TIMEignore the time in the colvar file
vol:COMBINECalculate a polynomial combination of a set of other variables. More detailsARG=voltmpthe input to this functionPARAMETERS=10.0the parameters of the arguments in your functionPERIODIC=NO renergy:if the output of your function is periodic then you should specify the periodicity of the functionCOMBINECalculate a polynomial combination of a set of other variables. More detailsARG=energythe input to this functionPARAMETERS=-25000the 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=400the system temperatureARG=b1.bias,uwall.biasthe biases that must be taken into account when reweighting
weights350-0:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=350.0Reweighting temperatureREWEIGHT_PRESSURE=0.0Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights350-0the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh350-0a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh350-0the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo350-0the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff350-0:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh350-0the histogram that you would like to convert into a free energy surface (old syntax)TEMP=350.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff350-0the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes350-0the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights350-1000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=350.0Reweighting temperatureREWEIGHT_PRESSURE=60.22140857Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights350-1000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh350-1000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh350-1000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo350-1000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff350-1000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh350-1000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=350.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff350-1000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes350-1000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights350-2000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=350.0Reweighting temperatureREWEIGHT_PRESSURE=120.44281714Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights350-2000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh350-2000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh350-2000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo350-2000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff350-2000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh350-2000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=350.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff350-2000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes350-2000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights350-3000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=350.0Reweighting temperatureREWEIGHT_PRESSURE=180.66422571Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights350-3000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh350-3000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh350-3000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo350-3000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff350-3000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh350-3000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=350.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff350-3000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes350-3000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights350-4000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=350.0Reweighting temperatureREWEIGHT_PRESSURE=240.88563428Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights350-4000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh350-4000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh350-4000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo350-4000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff350-4000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh350-4000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=350.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff350-4000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes350-4000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights350-5000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=350.0Reweighting temperatureREWEIGHT_PRESSURE=301.10704285Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights350-5000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh350-5000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh350-5000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo350-5000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff350-5000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh350-5000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=350.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff350-5000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes350-5000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights350-6000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=350.0Reweighting temperatureREWEIGHT_PRESSURE=361.32845142Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights350-6000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh350-6000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh350-6000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo350-6000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff350-6000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh350-6000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=350.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff350-6000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes350-6000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights350-7000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=350.0Reweighting temperatureREWEIGHT_PRESSURE=421.54985999Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights350-7000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh350-7000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh350-7000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo350-7000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff350-7000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh350-7000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=350.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff350-7000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes350-7000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights350-8000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=350.0Reweighting temperatureREWEIGHT_PRESSURE=481.77126856Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights350-8000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh350-8000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh350-8000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo350-8000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff350-8000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh350-8000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=350.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff350-8000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes350-8000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights350-9000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=350.0Reweighting temperatureREWEIGHT_PRESSURE=541.9926771300001Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights350-9000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh350-9000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh350-9000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo350-9000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff350-9000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh350-9000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=350.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff350-9000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes350-9000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights350-10000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=350.0Reweighting temperatureREWEIGHT_PRESSURE=602.2140857Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights350-10000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh350-10000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh350-10000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo350-10000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff350-10000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh350-10000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=350.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff350-10000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes350-10000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights360-0:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=360.0Reweighting temperatureREWEIGHT_PRESSURE=0.0Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights360-0the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh360-0a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh360-0the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo360-0the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff360-0:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh360-0the histogram that you would like to convert into a free energy surface (old syntax)TEMP=360.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff360-0the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes360-0the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights360-1000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=360.0Reweighting temperatureREWEIGHT_PRESSURE=60.22140857Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights360-1000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh360-1000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh360-1000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo360-1000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff360-1000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh360-1000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=360.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff360-1000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes360-1000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights360-2000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=360.0Reweighting temperatureREWEIGHT_PRESSURE=120.44281714Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights360-2000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh360-2000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh360-2000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo360-2000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff360-2000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh360-2000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=360.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff360-2000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes360-2000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights360-3000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=360.0Reweighting temperatureREWEIGHT_PRESSURE=180.66422571Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights360-3000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh360-3000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh360-3000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo360-3000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff360-3000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh360-3000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=360.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff360-3000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes360-3000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights360-4000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=360.0Reweighting temperatureREWEIGHT_PRESSURE=240.88563428Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights360-4000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh360-4000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh360-4000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo360-4000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff360-4000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh360-4000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=360.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff360-4000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes360-4000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights360-5000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=360.0Reweighting temperatureREWEIGHT_PRESSURE=301.10704285Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights360-5000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh360-5000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh360-5000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo360-5000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff360-5000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh360-5000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=360.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff360-5000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes360-5000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights360-6000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=360.0Reweighting temperatureREWEIGHT_PRESSURE=361.32845142Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights360-6000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh360-6000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh360-6000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo360-6000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff360-6000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh360-6000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=360.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff360-6000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes360-6000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights360-7000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=360.0Reweighting temperatureREWEIGHT_PRESSURE=421.54985999Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights360-7000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh360-7000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh360-7000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo360-7000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff360-7000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh360-7000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=360.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff360-7000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes360-7000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights360-8000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=360.0Reweighting temperatureREWEIGHT_PRESSURE=481.77126856Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights360-8000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh360-8000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh360-8000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo360-8000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff360-8000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh360-8000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=360.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff360-8000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes360-8000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights360-9000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=360.0Reweighting temperatureREWEIGHT_PRESSURE=541.9926771300001Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights360-9000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh360-9000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh360-9000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo360-9000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff360-9000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh360-9000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=360.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff360-9000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes360-9000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights360-10000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=360.0Reweighting temperatureREWEIGHT_PRESSURE=602.2140857Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights360-10000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh360-10000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh360-10000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo360-10000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff360-10000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh360-10000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=360.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff360-10000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes360-10000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights370-0:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=370.0Reweighting temperatureREWEIGHT_PRESSURE=0.0Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights370-0the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh370-0a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh370-0the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo370-0the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff370-0:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh370-0the histogram that you would like to convert into a free energy surface (old syntax)TEMP=370.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff370-0the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes370-0the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights370-1000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=370.0Reweighting temperatureREWEIGHT_PRESSURE=60.22140857Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights370-1000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh370-1000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh370-1000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo370-1000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff370-1000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh370-1000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=370.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff370-1000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes370-1000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights370-2000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=370.0Reweighting temperatureREWEIGHT_PRESSURE=120.44281714Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights370-2000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh370-2000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh370-2000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo370-2000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff370-2000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh370-2000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=370.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff370-2000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes370-2000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights370-3000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=370.0Reweighting temperatureREWEIGHT_PRESSURE=180.66422571Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights370-3000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh370-3000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh370-3000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo370-3000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff370-3000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh370-3000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=370.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff370-3000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes370-3000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights370-4000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=370.0Reweighting temperatureREWEIGHT_PRESSURE=240.88563428Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights370-4000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh370-4000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh370-4000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo370-4000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff370-4000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh370-4000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=370.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff370-4000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes370-4000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights370-5000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=370.0Reweighting temperatureREWEIGHT_PRESSURE=301.10704285Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights370-5000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh370-5000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh370-5000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo370-5000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff370-5000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh370-5000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=370.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff370-5000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes370-5000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights370-6000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=370.0Reweighting temperatureREWEIGHT_PRESSURE=361.32845142Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights370-6000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh370-6000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh370-6000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo370-6000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff370-6000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh370-6000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=370.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff370-6000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes370-6000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights370-7000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=370.0Reweighting temperatureREWEIGHT_PRESSURE=421.54985999Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights370-7000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh370-7000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh370-7000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo370-7000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff370-7000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh370-7000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=370.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff370-7000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes370-7000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights370-8000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=370.0Reweighting temperatureREWEIGHT_PRESSURE=481.77126856Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights370-8000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh370-8000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh370-8000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo370-8000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff370-8000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh370-8000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=370.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff370-8000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes370-8000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights370-9000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=370.0Reweighting temperatureREWEIGHT_PRESSURE=541.9926771300001Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights370-9000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh370-9000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh370-9000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo370-9000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff370-9000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh370-9000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=370.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff370-9000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes370-9000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights370-10000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=370.0Reweighting temperatureREWEIGHT_PRESSURE=602.2140857Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights370-10000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh370-10000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh370-10000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo370-10000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff370-10000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh370-10000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=370.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff370-10000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes370-10000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights380-0:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=380.0Reweighting temperatureREWEIGHT_PRESSURE=0.0Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights380-0the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh380-0a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh380-0the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo380-0the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff380-0:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh380-0the histogram that you would like to convert into a free energy surface (old syntax)TEMP=380.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff380-0the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes380-0the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights380-1000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=380.0Reweighting temperatureREWEIGHT_PRESSURE=60.22140857Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights380-1000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh380-1000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh380-1000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo380-1000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff380-1000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh380-1000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=380.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff380-1000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes380-1000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights380-2000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=380.0Reweighting temperatureREWEIGHT_PRESSURE=120.44281714Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights380-2000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh380-2000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh380-2000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo380-2000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff380-2000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh380-2000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=380.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff380-2000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes380-2000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights380-3000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=380.0Reweighting temperatureREWEIGHT_PRESSURE=180.66422571Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights380-3000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh380-3000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh380-3000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo380-3000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff380-3000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh380-3000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=380.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff380-3000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes380-3000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights380-4000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=380.0Reweighting temperatureREWEIGHT_PRESSURE=240.88563428Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights380-4000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh380-4000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh380-4000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo380-4000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff380-4000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh380-4000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=380.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff380-4000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes380-4000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights380-5000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=380.0Reweighting temperatureREWEIGHT_PRESSURE=301.10704285Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights380-5000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh380-5000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh380-5000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo380-5000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff380-5000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh380-5000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=380.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff380-5000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes380-5000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights380-6000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=380.0Reweighting temperatureREWEIGHT_PRESSURE=361.32845142Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights380-6000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh380-6000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh380-6000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo380-6000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff380-6000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh380-6000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=380.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff380-6000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes380-6000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights380-7000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=380.0Reweighting temperatureREWEIGHT_PRESSURE=421.54985999Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights380-7000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh380-7000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh380-7000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo380-7000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff380-7000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh380-7000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=380.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff380-7000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes380-7000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights380-8000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=380.0Reweighting temperatureREWEIGHT_PRESSURE=481.77126856Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights380-8000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh380-8000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh380-8000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo380-8000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff380-8000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh380-8000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=380.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff380-8000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes380-8000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights380-9000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=380.0Reweighting temperatureREWEIGHT_PRESSURE=541.9926771300001Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights380-9000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh380-9000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh380-9000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo380-9000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff380-9000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh380-9000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=380.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff380-9000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes380-9000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights380-10000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=380.0Reweighting temperatureREWEIGHT_PRESSURE=602.2140857Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights380-10000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh380-10000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh380-10000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo380-10000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff380-10000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh380-10000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=380.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff380-10000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes380-10000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights390-0:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=390.0Reweighting temperatureREWEIGHT_PRESSURE=0.0Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights390-0the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh390-0a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh390-0the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo390-0the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff390-0:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh390-0the histogram that you would like to convert into a free energy surface (old syntax)TEMP=390.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff390-0the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes390-0the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights390-1000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=390.0Reweighting temperatureREWEIGHT_PRESSURE=60.22140857Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights390-1000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh390-1000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh390-1000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo390-1000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff390-1000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh390-1000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=390.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff390-1000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes390-1000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights390-2000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=390.0Reweighting temperatureREWEIGHT_PRESSURE=120.44281714Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights390-2000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh390-2000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh390-2000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo390-2000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff390-2000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh390-2000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=390.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff390-2000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes390-2000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights390-3000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=390.0Reweighting temperatureREWEIGHT_PRESSURE=180.66422571Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights390-3000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh390-3000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh390-3000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo390-3000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff390-3000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh390-3000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=390.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff390-3000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes390-3000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights390-4000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=390.0Reweighting temperatureREWEIGHT_PRESSURE=240.88563428Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights390-4000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh390-4000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh390-4000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo390-4000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff390-4000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh390-4000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=390.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff390-4000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes390-4000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights390-5000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=390.0Reweighting temperatureREWEIGHT_PRESSURE=301.10704285Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights390-5000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh390-5000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh390-5000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo390-5000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff390-5000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh390-5000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=390.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff390-5000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes390-5000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights390-6000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=390.0Reweighting temperatureREWEIGHT_PRESSURE=361.32845142Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights390-6000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh390-6000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh390-6000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo390-6000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff390-6000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh390-6000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=390.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff390-6000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes390-6000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights390-7000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=390.0Reweighting temperatureREWEIGHT_PRESSURE=421.54985999Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights390-7000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh390-7000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh390-7000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo390-7000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff390-7000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh390-7000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=390.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff390-7000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes390-7000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights390-8000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=390.0Reweighting temperatureREWEIGHT_PRESSURE=481.77126856Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights390-8000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh390-8000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh390-8000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo390-8000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff390-8000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh390-8000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=390.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff390-8000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes390-8000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights390-9000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=390.0Reweighting temperatureREWEIGHT_PRESSURE=541.9926771300001Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights390-9000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh390-9000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh390-9000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo390-9000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff390-9000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh390-9000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=390.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff390-9000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes390-9000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights390-10000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=390.0Reweighting temperatureREWEIGHT_PRESSURE=602.2140857Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights390-10000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh390-10000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh390-10000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo390-10000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff390-10000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh390-10000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=390.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff390-10000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes390-10000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights400-0:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=400.0Reweighting temperatureREWEIGHT_PRESSURE=0.0Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights400-0the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh400-0a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh400-0the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo400-0the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff400-0:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh400-0the histogram that you would like to convert into a free energy surface (old syntax)TEMP=400.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff400-0the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes400-0the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights400-1000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=400.0Reweighting temperatureREWEIGHT_PRESSURE=60.22140857Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights400-1000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh400-1000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh400-1000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo400-1000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff400-1000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh400-1000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=400.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff400-1000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes400-1000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights400-2000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=400.0Reweighting temperatureREWEIGHT_PRESSURE=120.44281714Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights400-2000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh400-2000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh400-2000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo400-2000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff400-2000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh400-2000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=400.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff400-2000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes400-2000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights400-3000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=400.0Reweighting temperatureREWEIGHT_PRESSURE=180.66422571Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights400-3000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh400-3000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh400-3000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo400-3000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff400-3000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh400-3000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=400.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff400-3000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes400-3000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights400-4000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=400.0Reweighting temperatureREWEIGHT_PRESSURE=240.88563428Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights400-4000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh400-4000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh400-4000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo400-4000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff400-4000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh400-4000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=400.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff400-4000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes400-4000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights400-5000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=400.0Reweighting temperatureREWEIGHT_PRESSURE=301.10704285Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights400-5000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh400-5000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh400-5000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo400-5000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff400-5000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh400-5000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=400.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff400-5000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes400-5000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights400-6000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=400.0Reweighting temperatureREWEIGHT_PRESSURE=361.32845142Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights400-6000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh400-6000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh400-6000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo400-6000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff400-6000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh400-6000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=400.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff400-6000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes400-6000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights400-7000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=400.0Reweighting temperatureREWEIGHT_PRESSURE=421.54985999Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights400-7000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh400-7000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh400-7000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo400-7000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff400-7000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh400-7000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=400.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff400-7000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes400-7000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights400-8000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=400.0Reweighting temperatureREWEIGHT_PRESSURE=481.77126856Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights400-8000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh400-8000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh400-8000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo400-8000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff400-8000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh400-8000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=400.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff400-8000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes400-8000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights400-9000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=400.0Reweighting temperatureREWEIGHT_PRESSURE=541.9926771300001Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights400-9000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh400-9000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh400-9000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo400-9000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff400-9000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh400-9000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=400.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff400-9000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes400-9000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights400-10000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=400.0Reweighting temperatureREWEIGHT_PRESSURE=602.2140857Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights400-10000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh400-10000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh400-10000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo400-10000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff400-10000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh400-10000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=400.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff400-10000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes400-10000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights410-0:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=410.0Reweighting temperatureREWEIGHT_PRESSURE=0.0Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights410-0the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh410-0a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh410-0the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo410-0the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff410-0:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh410-0the histogram that you would like to convert into a free energy surface (old syntax)TEMP=410.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff410-0the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes410-0the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights410-1000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=410.0Reweighting temperatureREWEIGHT_PRESSURE=60.22140857Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights410-1000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh410-1000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh410-1000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo410-1000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff410-1000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh410-1000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=410.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff410-1000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes410-1000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights410-2000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=410.0Reweighting temperatureREWEIGHT_PRESSURE=120.44281714Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights410-2000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh410-2000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh410-2000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo410-2000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff410-2000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh410-2000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=410.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff410-2000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes410-2000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights410-3000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=410.0Reweighting temperatureREWEIGHT_PRESSURE=180.66422571Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights410-3000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh410-3000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh410-3000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo410-3000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff410-3000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh410-3000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=410.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff410-3000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes410-3000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights410-4000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=410.0Reweighting temperatureREWEIGHT_PRESSURE=240.88563428Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights410-4000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh410-4000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh410-4000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo410-4000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff410-4000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh410-4000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=410.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff410-4000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes410-4000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights410-5000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=410.0Reweighting temperatureREWEIGHT_PRESSURE=301.10704285Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights410-5000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh410-5000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh410-5000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo410-5000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff410-5000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh410-5000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=410.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff410-5000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes410-5000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights410-6000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=410.0Reweighting temperatureREWEIGHT_PRESSURE=361.32845142Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights410-6000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh410-6000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh410-6000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo410-6000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff410-6000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh410-6000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=410.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff410-6000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes410-6000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights410-7000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=410.0Reweighting temperatureREWEIGHT_PRESSURE=421.54985999Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights410-7000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh410-7000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh410-7000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo410-7000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff410-7000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh410-7000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=410.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff410-7000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes410-7000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights410-8000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=410.0Reweighting temperatureREWEIGHT_PRESSURE=481.77126856Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights410-8000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh410-8000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh410-8000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo410-8000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff410-8000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh410-8000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=410.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff410-8000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes410-8000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights410-9000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=410.0Reweighting temperatureREWEIGHT_PRESSURE=541.9926771300001Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights410-9000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh410-9000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh410-9000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo410-9000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff410-9000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh410-9000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=410.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff410-9000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes410-9000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights410-10000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=410.0Reweighting temperatureREWEIGHT_PRESSURE=602.2140857Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights410-10000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh410-10000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh410-10000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo410-10000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff410-10000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh410-10000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=410.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff410-10000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes410-10000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights420-0:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=420.0Reweighting temperatureREWEIGHT_PRESSURE=0.0Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights420-0the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh420-0a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh420-0the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo420-0the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff420-0:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh420-0the histogram that you would like to convert into a free energy surface (old syntax)TEMP=420.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff420-0the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes420-0the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights420-1000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=420.0Reweighting temperatureREWEIGHT_PRESSURE=60.22140857Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights420-1000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh420-1000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh420-1000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo420-1000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff420-1000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh420-1000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=420.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff420-1000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes420-1000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights420-2000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=420.0Reweighting temperatureREWEIGHT_PRESSURE=120.44281714Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights420-2000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh420-2000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh420-2000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo420-2000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff420-2000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh420-2000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=420.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff420-2000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes420-2000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights420-3000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=420.0Reweighting temperatureREWEIGHT_PRESSURE=180.66422571Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights420-3000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh420-3000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh420-3000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo420-3000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff420-3000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh420-3000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=420.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff420-3000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes420-3000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights420-4000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=420.0Reweighting temperatureREWEIGHT_PRESSURE=240.88563428Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights420-4000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh420-4000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh420-4000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo420-4000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff420-4000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh420-4000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=420.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff420-4000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes420-4000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights420-5000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=420.0Reweighting temperatureREWEIGHT_PRESSURE=301.10704285Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights420-5000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh420-5000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh420-5000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo420-5000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff420-5000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh420-5000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=420.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff420-5000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes420-5000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights420-6000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=420.0Reweighting temperatureREWEIGHT_PRESSURE=361.32845142Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights420-6000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh420-6000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh420-6000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo420-6000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff420-6000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh420-6000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=420.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff420-6000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes420-6000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights420-7000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=420.0Reweighting temperatureREWEIGHT_PRESSURE=421.54985999Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights420-7000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh420-7000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh420-7000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo420-7000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff420-7000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh420-7000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=420.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff420-7000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes420-7000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights420-8000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=420.0Reweighting temperatureREWEIGHT_PRESSURE=481.77126856Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights420-8000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh420-8000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh420-8000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo420-8000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff420-8000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh420-8000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=420.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff420-8000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes420-8000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights420-9000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=420.0Reweighting temperatureREWEIGHT_PRESSURE=541.9926771300001Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights420-9000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh420-9000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh420-9000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo420-9000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff420-9000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh420-9000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=420.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff420-9000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes420-9000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights420-10000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=420.0Reweighting temperatureREWEIGHT_PRESSURE=602.2140857Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights420-10000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh420-10000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh420-10000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo420-10000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff420-10000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh420-10000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=420.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff420-10000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes420-10000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights430-0:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=430.0Reweighting temperatureREWEIGHT_PRESSURE=0.0Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights430-0the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh430-0a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh430-0the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo430-0the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff430-0:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh430-0the histogram that you would like to convert into a free energy surface (old syntax)TEMP=430.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff430-0the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes430-0the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights430-1000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=430.0Reweighting temperatureREWEIGHT_PRESSURE=60.22140857Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights430-1000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh430-1000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh430-1000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo430-1000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff430-1000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh430-1000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=430.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff430-1000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes430-1000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights430-2000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=430.0Reweighting temperatureREWEIGHT_PRESSURE=120.44281714Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights430-2000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh430-2000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh430-2000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo430-2000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff430-2000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh430-2000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=430.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff430-2000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes430-2000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights430-3000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=430.0Reweighting temperatureREWEIGHT_PRESSURE=180.66422571Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights430-3000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh430-3000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh430-3000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo430-3000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff430-3000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh430-3000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=430.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff430-3000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes430-3000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights430-4000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=430.0Reweighting temperatureREWEIGHT_PRESSURE=240.88563428Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights430-4000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh430-4000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh430-4000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo430-4000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff430-4000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh430-4000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=430.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff430-4000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes430-4000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights430-5000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=430.0Reweighting temperatureREWEIGHT_PRESSURE=301.10704285Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights430-5000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh430-5000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh430-5000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo430-5000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff430-5000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh430-5000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=430.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff430-5000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes430-5000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights430-6000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=430.0Reweighting temperatureREWEIGHT_PRESSURE=361.32845142Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights430-6000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh430-6000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh430-6000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo430-6000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff430-6000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh430-6000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=430.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff430-6000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes430-6000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights430-7000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=430.0Reweighting temperatureREWEIGHT_PRESSURE=421.54985999Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights430-7000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh430-7000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh430-7000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo430-7000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff430-7000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh430-7000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=430.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff430-7000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes430-7000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights430-8000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=430.0Reweighting temperatureREWEIGHT_PRESSURE=481.77126856Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights430-8000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh430-8000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh430-8000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo430-8000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff430-8000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh430-8000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=430.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff430-8000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes430-8000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights430-9000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=430.0Reweighting temperatureREWEIGHT_PRESSURE=541.9926771300001Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights430-9000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh430-9000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh430-9000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo430-9000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff430-9000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh430-9000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=430.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff430-9000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes430-9000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights430-10000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=430.0Reweighting temperatureREWEIGHT_PRESSURE=602.2140857Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights430-10000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh430-10000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh430-10000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo430-10000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff430-10000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh430-10000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=430.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff430-10000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes430-10000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights440-0:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=440.0Reweighting temperatureREWEIGHT_PRESSURE=0.0Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights440-0the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh440-0a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh440-0the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo440-0the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff440-0:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh440-0the histogram that you would like to convert into a free energy surface (old syntax)TEMP=440.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff440-0the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes440-0the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights440-1000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=440.0Reweighting temperatureREWEIGHT_PRESSURE=60.22140857Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights440-1000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh440-1000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh440-1000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo440-1000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff440-1000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh440-1000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=440.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff440-1000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes440-1000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights440-2000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=440.0Reweighting temperatureREWEIGHT_PRESSURE=120.44281714Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights440-2000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh440-2000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh440-2000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo440-2000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff440-2000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh440-2000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=440.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff440-2000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes440-2000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights440-3000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=440.0Reweighting temperatureREWEIGHT_PRESSURE=180.66422571Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights440-3000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh440-3000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh440-3000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo440-3000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff440-3000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh440-3000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=440.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff440-3000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes440-3000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights440-4000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=440.0Reweighting temperatureREWEIGHT_PRESSURE=240.88563428Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights440-4000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh440-4000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh440-4000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo440-4000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff440-4000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh440-4000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=440.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff440-4000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes440-4000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights440-5000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=440.0Reweighting temperatureREWEIGHT_PRESSURE=301.10704285Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights440-5000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh440-5000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh440-5000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo440-5000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff440-5000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh440-5000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=440.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff440-5000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes440-5000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights440-6000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=440.0Reweighting temperatureREWEIGHT_PRESSURE=361.32845142Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights440-6000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh440-6000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh440-6000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo440-6000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff440-6000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh440-6000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=440.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff440-6000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes440-6000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights440-7000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=440.0Reweighting temperatureREWEIGHT_PRESSURE=421.54985999Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights440-7000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh440-7000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh440-7000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo440-7000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff440-7000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh440-7000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=440.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff440-7000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes440-7000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights440-8000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=440.0Reweighting temperatureREWEIGHT_PRESSURE=481.77126856Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights440-8000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh440-8000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh440-8000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo440-8000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff440-8000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh440-8000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=440.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff440-8000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes440-8000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights440-9000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=440.0Reweighting temperatureREWEIGHT_PRESSURE=541.9926771300001Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights440-9000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh440-9000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh440-9000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo440-9000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff440-9000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh440-9000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=440.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff440-9000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes440-9000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights440-10000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=440.0Reweighting temperatureREWEIGHT_PRESSURE=602.2140857Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights440-10000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh440-10000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh440-10000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo440-10000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff440-10000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh440-10000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=440.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff440-10000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes440-10000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights450-0:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=450.0Reweighting temperatureREWEIGHT_PRESSURE=0.0Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights450-0the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh450-0a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh450-0the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo450-0the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff450-0:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh450-0the histogram that you would like to convert into a free energy surface (old syntax)TEMP=450.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff450-0the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes450-0the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights450-1000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=450.0Reweighting temperatureREWEIGHT_PRESSURE=60.22140857Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights450-1000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh450-1000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh450-1000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo450-1000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff450-1000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh450-1000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=450.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff450-1000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes450-1000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights450-2000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=450.0Reweighting temperatureREWEIGHT_PRESSURE=120.44281714Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights450-2000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh450-2000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh450-2000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo450-2000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff450-2000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh450-2000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=450.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff450-2000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes450-2000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights450-3000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=450.0Reweighting temperatureREWEIGHT_PRESSURE=180.66422571Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights450-3000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh450-3000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh450-3000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo450-3000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff450-3000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh450-3000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=450.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff450-3000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes450-3000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights450-4000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=450.0Reweighting temperatureREWEIGHT_PRESSURE=240.88563428Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights450-4000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh450-4000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh450-4000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo450-4000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff450-4000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh450-4000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=450.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff450-4000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes450-4000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights450-5000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=450.0Reweighting temperatureREWEIGHT_PRESSURE=301.10704285Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights450-5000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh450-5000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh450-5000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo450-5000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff450-5000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh450-5000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=450.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff450-5000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes450-5000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights450-6000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=450.0Reweighting temperatureREWEIGHT_PRESSURE=361.32845142Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights450-6000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh450-6000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh450-6000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo450-6000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff450-6000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh450-6000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=450.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff450-6000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes450-6000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights450-7000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=450.0Reweighting temperatureREWEIGHT_PRESSURE=421.54985999Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights450-7000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh450-7000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh450-7000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo450-7000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff450-7000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh450-7000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=450.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff450-7000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes450-7000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights450-8000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=450.0Reweighting temperatureREWEIGHT_PRESSURE=481.77126856Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights450-8000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh450-8000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh450-8000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo450-8000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff450-8000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh450-8000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=450.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff450-8000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes450-8000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights450-9000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=450.0Reweighting temperatureREWEIGHT_PRESSURE=541.9926771300001Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights450-9000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh450-9000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh450-9000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo450-9000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff450-9000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh450-9000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=450.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff450-9000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes450-9000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbers
weights450-10000:REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More detailsTEMP=400the system temperaturePRESSURE=301.10704285The system pressureREWEIGHT_TEMP=450.0Reweighting temperatureREWEIGHT_PRESSURE=602.2140857Reweighting pressureENERGY=renergyEnergyVOLUME=volVolumeHISTOGRAM...Accumulate the average probability density along a few CVs from a trajectory. More detailsARG=refcv.morethanthe quantity that is being averagedGRID_MIN=-0.5the lower bounds for the gridGRID_MAX=250.5the upper bounds for the gridGRID_BIN=1000the number of bins for the gridBANDWIDTH=1the bandwidths for kernel density esimtationLOGWEIGHTS=weights,weights450-10000the logarithm of the quantity to use as the weights when calculating averagesNORMALIZATION=trueThis controls how the data is normalized it can be set equal to true, false or ndataLABEL=hh450-10000a label for the action so that its output can be referenced in the input to other actionsCLEAR=10000 ... HISTOGRAMthe frequency with whihc to clear the data that is being averagedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=hh450-10000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=histo450-10000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10f ff450-10000:the format that should be used to output real numbersCONVERT_TO_FESConvert a histogram to a free energy surface. More detailsGRID=hh450-10000the histogram that you would like to convert into a free energy surface (old syntax)TEMP=450.0the temperature at which you are operatingDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More detailsGRID=ff450-10000the grid you would like to print (can also use ARG for specifying what is being printed)FILE=fes450-10000the file on which to write the gridSTRIDE=10000the frequency with which the grid should be output to the fileFMT=%16.10fthe format that should be used to output real numbersPrint 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