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 details FILEthe name of the file from which to read these quantities=COLVARtrim VALUESthe values to read from the file=energy IGNORE_TIME ignore the time in the colvar file b1: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVARtrim VALUESthe values to read from the file=b1.bias IGNORE_TIME ignore the time in the colvar file uwall: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVARtrim VALUESthe values to read from the file=uwall.bias IGNORE_TIME ignore the time in the colvar file refcv: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVARtrim VALUESthe values to read from the file=refcv.morethan IGNORE_TIME ignore the time in the colvar file voltmp: READRead quantities from a colvar file. More details FILEthe name of the file from which to read these quantities=COLVARtrim VALUESthe values to read from the file=vol IGNORE_TIME ignore the time in the colvar file
vol: COMBINECalculate a polynomial combination of a set of other variables. More details ARGthe values input to this function=voltmp PARAMETERS the parameters of the arguments in your function=10.0 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO renergy: COMBINECalculate a polynomial combination of a set of other variables. More details ARGthe values input to this function=energy PARAMETERS the parameters of the arguments in your function=-25000 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO weights: REWEIGHT_BIASCalculate weights for ensemble averages that negate the effect the bias has on the region of phase space explored More details TEMPthe system temperature=400. ARG the biases that must be taken into account when reweighting=b1.bias,uwall.bias weights350-0: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=350.0 REWEIGHT_PRESSUREReweighting pressure=0.0 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights350-0 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh350-0 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh350-0 FILE the file on which to write the grid=histo350-0 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff350-0: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh350-0 TEMPthe temperature at which you are operating=350.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff350-0 FILE the file on which to write the grid=fes350-0 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights350-1000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=350.0 REWEIGHT_PRESSUREReweighting pressure=60.22140857 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights350-1000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh350-1000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh350-1000 FILE the file on which to write the grid=histo350-1000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff350-1000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh350-1000 TEMPthe temperature at which you are operating=350.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff350-1000 FILE the file on which to write the grid=fes350-1000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights350-2000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=350.0 REWEIGHT_PRESSUREReweighting pressure=120.44281714 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights350-2000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh350-2000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh350-2000 FILE the file on which to write the grid=histo350-2000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff350-2000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh350-2000 TEMPthe temperature at which you are operating=350.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff350-2000 FILE the file on which to write the grid=fes350-2000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights350-3000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=350.0 REWEIGHT_PRESSUREReweighting pressure=180.66422571 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights350-3000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh350-3000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh350-3000 FILE the file on which to write the grid=histo350-3000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff350-3000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh350-3000 TEMPthe temperature at which you are operating=350.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff350-3000 FILE the file on which to write the grid=fes350-3000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights350-4000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=350.0 REWEIGHT_PRESSUREReweighting pressure=240.88563428 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights350-4000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh350-4000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh350-4000 FILE the file on which to write the grid=histo350-4000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff350-4000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh350-4000 TEMPthe temperature at which you are operating=350.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff350-4000 FILE the file on which to write the grid=fes350-4000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights350-5000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=350.0 REWEIGHT_PRESSUREReweighting pressure=301.10704285 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights350-5000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh350-5000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh350-5000 FILE the file on which to write the grid=histo350-5000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff350-5000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh350-5000 TEMPthe temperature at which you are operating=350.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff350-5000 FILE the file on which to write the grid=fes350-5000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights350-6000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=350.0 REWEIGHT_PRESSUREReweighting pressure=361.32845142 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights350-6000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh350-6000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh350-6000 FILE the file on which to write the grid=histo350-6000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff350-6000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh350-6000 TEMPthe temperature at which you are operating=350.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff350-6000 FILE the file on which to write the grid=fes350-6000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights350-7000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=350.0 REWEIGHT_PRESSUREReweighting pressure=421.54985999 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights350-7000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh350-7000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh350-7000 FILE the file on which to write the grid=histo350-7000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff350-7000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh350-7000 TEMPthe temperature at which you are operating=350.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff350-7000 FILE the file on which to write the grid=fes350-7000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights350-8000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=350.0 REWEIGHT_PRESSUREReweighting pressure=481.77126856 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights350-8000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh350-8000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh350-8000 FILE the file on which to write the grid=histo350-8000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff350-8000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh350-8000 TEMPthe temperature at which you are operating=350.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff350-8000 FILE the file on which to write the grid=fes350-8000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights350-9000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=350.0 REWEIGHT_PRESSUREReweighting pressure=541.9926771300001 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights350-9000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh350-9000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh350-9000 FILE the file on which to write the grid=histo350-9000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff350-9000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh350-9000 TEMPthe temperature at which you are operating=350.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff350-9000 FILE the file on which to write the grid=fes350-9000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights350-10000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=350.0 REWEIGHT_PRESSUREReweighting pressure=602.2140857 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights350-10000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh350-10000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh350-10000 FILE the file on which to write the grid=histo350-10000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff350-10000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh350-10000 TEMPthe temperature at which you are operating=350.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff350-10000 FILE the file on which to write the grid=fes350-10000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights360-0: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=360.0 REWEIGHT_PRESSUREReweighting pressure=0.0 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights360-0 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh360-0 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh360-0 FILE the file on which to write the grid=histo360-0 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff360-0: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh360-0 TEMPthe temperature at which you are operating=360.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff360-0 FILE the file on which to write the grid=fes360-0 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights360-1000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=360.0 REWEIGHT_PRESSUREReweighting pressure=60.22140857 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights360-1000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh360-1000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh360-1000 FILE the file on which to write the grid=histo360-1000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff360-1000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh360-1000 TEMPthe temperature at which you are operating=360.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff360-1000 FILE the file on which to write the grid=fes360-1000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights360-2000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=360.0 REWEIGHT_PRESSUREReweighting pressure=120.44281714 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights360-2000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh360-2000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh360-2000 FILE the file on which to write the grid=histo360-2000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff360-2000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh360-2000 TEMPthe temperature at which you are operating=360.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff360-2000 FILE the file on which to write the grid=fes360-2000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights360-3000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=360.0 REWEIGHT_PRESSUREReweighting pressure=180.66422571 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights360-3000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh360-3000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh360-3000 FILE the file on which to write the grid=histo360-3000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff360-3000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh360-3000 TEMPthe temperature at which you are operating=360.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff360-3000 FILE the file on which to write the grid=fes360-3000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights360-4000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=360.0 REWEIGHT_PRESSUREReweighting pressure=240.88563428 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights360-4000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh360-4000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh360-4000 FILE the file on which to write the grid=histo360-4000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff360-4000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh360-4000 TEMPthe temperature at which you are operating=360.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff360-4000 FILE the file on which to write the grid=fes360-4000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights360-5000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=360.0 REWEIGHT_PRESSUREReweighting pressure=301.10704285 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights360-5000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh360-5000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh360-5000 FILE the file on which to write the grid=histo360-5000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff360-5000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh360-5000 TEMPthe temperature at which you are operating=360.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff360-5000 FILE the file on which to write the grid=fes360-5000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights360-6000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=360.0 REWEIGHT_PRESSUREReweighting pressure=361.32845142 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights360-6000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh360-6000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh360-6000 FILE the file on which to write the grid=histo360-6000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff360-6000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh360-6000 TEMPthe temperature at which you are operating=360.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff360-6000 FILE the file on which to write the grid=fes360-6000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights360-7000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=360.0 REWEIGHT_PRESSUREReweighting pressure=421.54985999 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights360-7000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh360-7000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh360-7000 FILE the file on which to write the grid=histo360-7000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff360-7000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh360-7000 TEMPthe temperature at which you are operating=360.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff360-7000 FILE the file on which to write the grid=fes360-7000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights360-8000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=360.0 REWEIGHT_PRESSUREReweighting pressure=481.77126856 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights360-8000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh360-8000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh360-8000 FILE the file on which to write the grid=histo360-8000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff360-8000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh360-8000 TEMPthe temperature at which you are operating=360.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff360-8000 FILE the file on which to write the grid=fes360-8000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights360-9000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=360.0 REWEIGHT_PRESSUREReweighting pressure=541.9926771300001 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights360-9000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh360-9000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh360-9000 FILE the file on which to write the grid=histo360-9000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff360-9000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh360-9000 TEMPthe temperature at which you are operating=360.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff360-9000 FILE the file on which to write the grid=fes360-9000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights360-10000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=360.0 REWEIGHT_PRESSUREReweighting pressure=602.2140857 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights360-10000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh360-10000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh360-10000 FILE the file on which to write the grid=histo360-10000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff360-10000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh360-10000 TEMPthe temperature at which you are operating=360.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff360-10000 FILE the file on which to write the grid=fes360-10000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights370-0: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=370.0 REWEIGHT_PRESSUREReweighting pressure=0.0 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights370-0 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh370-0 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh370-0 FILE the file on which to write the grid=histo370-0 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff370-0: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh370-0 TEMPthe temperature at which you are operating=370.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff370-0 FILE the file on which to write the grid=fes370-0 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights370-1000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=370.0 REWEIGHT_PRESSUREReweighting pressure=60.22140857 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights370-1000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh370-1000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh370-1000 FILE the file on which to write the grid=histo370-1000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff370-1000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh370-1000 TEMPthe temperature at which you are operating=370.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff370-1000 FILE the file on which to write the grid=fes370-1000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights370-2000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=370.0 REWEIGHT_PRESSUREReweighting pressure=120.44281714 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights370-2000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh370-2000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh370-2000 FILE the file on which to write the grid=histo370-2000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff370-2000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh370-2000 TEMPthe temperature at which you are operating=370.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff370-2000 FILE the file on which to write the grid=fes370-2000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights370-3000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=370.0 REWEIGHT_PRESSUREReweighting pressure=180.66422571 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights370-3000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh370-3000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh370-3000 FILE the file on which to write the grid=histo370-3000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff370-3000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh370-3000 TEMPthe temperature at which you are operating=370.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff370-3000 FILE the file on which to write the grid=fes370-3000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights370-4000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=370.0 REWEIGHT_PRESSUREReweighting pressure=240.88563428 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights370-4000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh370-4000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh370-4000 FILE the file on which to write the grid=histo370-4000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff370-4000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh370-4000 TEMPthe temperature at which you are operating=370.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff370-4000 FILE the file on which to write the grid=fes370-4000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights370-5000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=370.0 REWEIGHT_PRESSUREReweighting pressure=301.10704285 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights370-5000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh370-5000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh370-5000 FILE the file on which to write the grid=histo370-5000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff370-5000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh370-5000 TEMPthe temperature at which you are operating=370.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff370-5000 FILE the file on which to write the grid=fes370-5000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights370-6000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=370.0 REWEIGHT_PRESSUREReweighting pressure=361.32845142 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights370-6000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh370-6000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh370-6000 FILE the file on which to write the grid=histo370-6000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff370-6000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh370-6000 TEMPthe temperature at which you are operating=370.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff370-6000 FILE the file on which to write the grid=fes370-6000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights370-7000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=370.0 REWEIGHT_PRESSUREReweighting pressure=421.54985999 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights370-7000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh370-7000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh370-7000 FILE the file on which to write the grid=histo370-7000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff370-7000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh370-7000 TEMPthe temperature at which you are operating=370.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff370-7000 FILE the file on which to write the grid=fes370-7000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights370-8000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=370.0 REWEIGHT_PRESSUREReweighting pressure=481.77126856 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights370-8000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh370-8000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh370-8000 FILE the file on which to write the grid=histo370-8000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff370-8000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh370-8000 TEMPthe temperature at which you are operating=370.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff370-8000 FILE the file on which to write the grid=fes370-8000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights370-9000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=370.0 REWEIGHT_PRESSUREReweighting pressure=541.9926771300001 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights370-9000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh370-9000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh370-9000 FILE the file on which to write the grid=histo370-9000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff370-9000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh370-9000 TEMPthe temperature at which you are operating=370.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff370-9000 FILE the file on which to write the grid=fes370-9000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights370-10000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=370.0 REWEIGHT_PRESSUREReweighting pressure=602.2140857 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights370-10000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh370-10000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh370-10000 FILE the file on which to write the grid=histo370-10000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff370-10000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh370-10000 TEMPthe temperature at which you are operating=370.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff370-10000 FILE the file on which to write the grid=fes370-10000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights380-0: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=380.0 REWEIGHT_PRESSUREReweighting pressure=0.0 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights380-0 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh380-0 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh380-0 FILE the file on which to write the grid=histo380-0 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff380-0: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh380-0 TEMPthe temperature at which you are operating=380.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff380-0 FILE the file on which to write the grid=fes380-0 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights380-1000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=380.0 REWEIGHT_PRESSUREReweighting pressure=60.22140857 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights380-1000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh380-1000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh380-1000 FILE the file on which to write the grid=histo380-1000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff380-1000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh380-1000 TEMPthe temperature at which you are operating=380.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff380-1000 FILE the file on which to write the grid=fes380-1000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights380-2000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=380.0 REWEIGHT_PRESSUREReweighting pressure=120.44281714 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights380-2000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh380-2000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh380-2000 FILE the file on which to write the grid=histo380-2000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff380-2000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh380-2000 TEMPthe temperature at which you are operating=380.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff380-2000 FILE the file on which to write the grid=fes380-2000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights380-3000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=380.0 REWEIGHT_PRESSUREReweighting pressure=180.66422571 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights380-3000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh380-3000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh380-3000 FILE the file on which to write the grid=histo380-3000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff380-3000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh380-3000 TEMPthe temperature at which you are operating=380.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff380-3000 FILE the file on which to write the grid=fes380-3000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights380-4000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=380.0 REWEIGHT_PRESSUREReweighting pressure=240.88563428 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights380-4000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh380-4000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh380-4000 FILE the file on which to write the grid=histo380-4000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff380-4000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh380-4000 TEMPthe temperature at which you are operating=380.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff380-4000 FILE the file on which to write the grid=fes380-4000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights380-5000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=380.0 REWEIGHT_PRESSUREReweighting pressure=301.10704285 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights380-5000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh380-5000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh380-5000 FILE the file on which to write the grid=histo380-5000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff380-5000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh380-5000 TEMPthe temperature at which you are operating=380.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff380-5000 FILE the file on which to write the grid=fes380-5000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights380-6000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=380.0 REWEIGHT_PRESSUREReweighting pressure=361.32845142 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights380-6000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh380-6000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh380-6000 FILE the file on which to write the grid=histo380-6000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff380-6000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh380-6000 TEMPthe temperature at which you are operating=380.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff380-6000 FILE the file on which to write the grid=fes380-6000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights380-7000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=380.0 REWEIGHT_PRESSUREReweighting pressure=421.54985999 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights380-7000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh380-7000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh380-7000 FILE the file on which to write the grid=histo380-7000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff380-7000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh380-7000 TEMPthe temperature at which you are operating=380.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff380-7000 FILE the file on which to write the grid=fes380-7000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights380-8000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=380.0 REWEIGHT_PRESSUREReweighting pressure=481.77126856 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights380-8000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh380-8000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh380-8000 FILE the file on which to write the grid=histo380-8000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff380-8000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh380-8000 TEMPthe temperature at which you are operating=380.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff380-8000 FILE the file on which to write the grid=fes380-8000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights380-9000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=380.0 REWEIGHT_PRESSUREReweighting pressure=541.9926771300001 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights380-9000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh380-9000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh380-9000 FILE the file on which to write the grid=histo380-9000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff380-9000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh380-9000 TEMPthe temperature at which you are operating=380.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff380-9000 FILE the file on which to write the grid=fes380-9000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights380-10000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=380.0 REWEIGHT_PRESSUREReweighting pressure=602.2140857 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights380-10000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh380-10000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh380-10000 FILE the file on which to write the grid=histo380-10000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff380-10000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh380-10000 TEMPthe temperature at which you are operating=380.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff380-10000 FILE the file on which to write the grid=fes380-10000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights390-0: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=390.0 REWEIGHT_PRESSUREReweighting pressure=0.0 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights390-0 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh390-0 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh390-0 FILE the file on which to write the grid=histo390-0 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff390-0: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh390-0 TEMPthe temperature at which you are operating=390.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff390-0 FILE the file on which to write the grid=fes390-0 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights390-1000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=390.0 REWEIGHT_PRESSUREReweighting pressure=60.22140857 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights390-1000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh390-1000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh390-1000 FILE the file on which to write the grid=histo390-1000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff390-1000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh390-1000 TEMPthe temperature at which you are operating=390.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff390-1000 FILE the file on which to write the grid=fes390-1000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights390-2000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=390.0 REWEIGHT_PRESSUREReweighting pressure=120.44281714 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights390-2000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh390-2000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh390-2000 FILE the file on which to write the grid=histo390-2000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff390-2000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh390-2000 TEMPthe temperature at which you are operating=390.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff390-2000 FILE the file on which to write the grid=fes390-2000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights390-3000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=390.0 REWEIGHT_PRESSUREReweighting pressure=180.66422571 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights390-3000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh390-3000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh390-3000 FILE the file on which to write the grid=histo390-3000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff390-3000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh390-3000 TEMPthe temperature at which you are operating=390.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff390-3000 FILE the file on which to write the grid=fes390-3000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights390-4000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=390.0 REWEIGHT_PRESSUREReweighting pressure=240.88563428 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights390-4000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh390-4000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh390-4000 FILE the file on which to write the grid=histo390-4000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff390-4000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh390-4000 TEMPthe temperature at which you are operating=390.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff390-4000 FILE the file on which to write the grid=fes390-4000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights390-5000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=390.0 REWEIGHT_PRESSUREReweighting pressure=301.10704285 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights390-5000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh390-5000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh390-5000 FILE the file on which to write the grid=histo390-5000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff390-5000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh390-5000 TEMPthe temperature at which you are operating=390.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff390-5000 FILE the file on which to write the grid=fes390-5000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights390-6000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=390.0 REWEIGHT_PRESSUREReweighting pressure=361.32845142 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights390-6000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh390-6000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh390-6000 FILE the file on which to write the grid=histo390-6000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff390-6000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh390-6000 TEMPthe temperature at which you are operating=390.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff390-6000 FILE the file on which to write the grid=fes390-6000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights390-7000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=390.0 REWEIGHT_PRESSUREReweighting pressure=421.54985999 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights390-7000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh390-7000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh390-7000 FILE the file on which to write the grid=histo390-7000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff390-7000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh390-7000 TEMPthe temperature at which you are operating=390.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff390-7000 FILE the file on which to write the grid=fes390-7000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights390-8000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=390.0 REWEIGHT_PRESSUREReweighting pressure=481.77126856 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights390-8000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh390-8000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh390-8000 FILE the file on which to write the grid=histo390-8000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff390-8000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh390-8000 TEMPthe temperature at which you are operating=390.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff390-8000 FILE the file on which to write the grid=fes390-8000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights390-9000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=390.0 REWEIGHT_PRESSUREReweighting pressure=541.9926771300001 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights390-9000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh390-9000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh390-9000 FILE the file on which to write the grid=histo390-9000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff390-9000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh390-9000 TEMPthe temperature at which you are operating=390.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff390-9000 FILE the file on which to write the grid=fes390-9000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights390-10000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=390.0 REWEIGHT_PRESSUREReweighting pressure=602.2140857 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights390-10000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh390-10000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh390-10000 FILE the file on which to write the grid=histo390-10000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff390-10000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh390-10000 TEMPthe temperature at which you are operating=390.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff390-10000 FILE the file on which to write the grid=fes390-10000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights400-0: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=400.0 REWEIGHT_PRESSUREReweighting pressure=0.0 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights400-0 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh400-0 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh400-0 FILE the file on which to write the grid=histo400-0 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff400-0: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh400-0 TEMPthe temperature at which you are operating=400.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff400-0 FILE the file on which to write the grid=fes400-0 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights400-1000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=400.0 REWEIGHT_PRESSUREReweighting pressure=60.22140857 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights400-1000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh400-1000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh400-1000 FILE the file on which to write the grid=histo400-1000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff400-1000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh400-1000 TEMPthe temperature at which you are operating=400.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff400-1000 FILE the file on which to write the grid=fes400-1000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights400-2000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=400.0 REWEIGHT_PRESSUREReweighting pressure=120.44281714 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights400-2000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh400-2000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh400-2000 FILE the file on which to write the grid=histo400-2000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff400-2000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh400-2000 TEMPthe temperature at which you are operating=400.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff400-2000 FILE the file on which to write the grid=fes400-2000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights400-3000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=400.0 REWEIGHT_PRESSUREReweighting pressure=180.66422571 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights400-3000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh400-3000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh400-3000 FILE the file on which to write the grid=histo400-3000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff400-3000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh400-3000 TEMPthe temperature at which you are operating=400.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff400-3000 FILE the file on which to write the grid=fes400-3000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights400-4000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=400.0 REWEIGHT_PRESSUREReweighting pressure=240.88563428 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights400-4000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh400-4000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh400-4000 FILE the file on which to write the grid=histo400-4000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff400-4000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh400-4000 TEMPthe temperature at which you are operating=400.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff400-4000 FILE the file on which to write the grid=fes400-4000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights400-5000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=400.0 REWEIGHT_PRESSUREReweighting pressure=301.10704285 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights400-5000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh400-5000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh400-5000 FILE the file on which to write the grid=histo400-5000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff400-5000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh400-5000 TEMPthe temperature at which you are operating=400.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff400-5000 FILE the file on which to write the grid=fes400-5000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights400-6000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=400.0 REWEIGHT_PRESSUREReweighting pressure=361.32845142 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights400-6000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh400-6000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh400-6000 FILE the file on which to write the grid=histo400-6000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff400-6000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh400-6000 TEMPthe temperature at which you are operating=400.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff400-6000 FILE the file on which to write the grid=fes400-6000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights400-7000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=400.0 REWEIGHT_PRESSUREReweighting pressure=421.54985999 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights400-7000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh400-7000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh400-7000 FILE the file on which to write the grid=histo400-7000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff400-7000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh400-7000 TEMPthe temperature at which you are operating=400.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff400-7000 FILE the file on which to write the grid=fes400-7000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights400-8000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=400.0 REWEIGHT_PRESSUREReweighting pressure=481.77126856 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights400-8000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh400-8000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh400-8000 FILE the file on which to write the grid=histo400-8000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff400-8000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh400-8000 TEMPthe temperature at which you are operating=400.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff400-8000 FILE the file on which to write the grid=fes400-8000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights400-9000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=400.0 REWEIGHT_PRESSUREReweighting pressure=541.9926771300001 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights400-9000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh400-9000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh400-9000 FILE the file on which to write the grid=histo400-9000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff400-9000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh400-9000 TEMPthe temperature at which you are operating=400.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff400-9000 FILE the file on which to write the grid=fes400-9000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights400-10000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=400.0 REWEIGHT_PRESSUREReweighting pressure=602.2140857 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights400-10000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh400-10000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh400-10000 FILE the file on which to write the grid=histo400-10000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff400-10000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh400-10000 TEMPthe temperature at which you are operating=400.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff400-10000 FILE the file on which to write the grid=fes400-10000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights410-0: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=410.0 REWEIGHT_PRESSUREReweighting pressure=0.0 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights410-0 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh410-0 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh410-0 FILE the file on which to write the grid=histo410-0 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff410-0: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh410-0 TEMPthe temperature at which you are operating=410.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff410-0 FILE the file on which to write the grid=fes410-0 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights410-1000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=410.0 REWEIGHT_PRESSUREReweighting pressure=60.22140857 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights410-1000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh410-1000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh410-1000 FILE the file on which to write the grid=histo410-1000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff410-1000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh410-1000 TEMPthe temperature at which you are operating=410.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff410-1000 FILE the file on which to write the grid=fes410-1000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights410-2000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=410.0 REWEIGHT_PRESSUREReweighting pressure=120.44281714 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights410-2000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh410-2000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh410-2000 FILE the file on which to write the grid=histo410-2000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff410-2000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh410-2000 TEMPthe temperature at which you are operating=410.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff410-2000 FILE the file on which to write the grid=fes410-2000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights410-3000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=410.0 REWEIGHT_PRESSUREReweighting pressure=180.66422571 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights410-3000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh410-3000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh410-3000 FILE the file on which to write the grid=histo410-3000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff410-3000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh410-3000 TEMPthe temperature at which you are operating=410.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff410-3000 FILE the file on which to write the grid=fes410-3000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights410-4000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=410.0 REWEIGHT_PRESSUREReweighting pressure=240.88563428 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights410-4000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh410-4000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh410-4000 FILE the file on which to write the grid=histo410-4000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff410-4000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh410-4000 TEMPthe temperature at which you are operating=410.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff410-4000 FILE the file on which to write the grid=fes410-4000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights410-5000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=410.0 REWEIGHT_PRESSUREReweighting pressure=301.10704285 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights410-5000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh410-5000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh410-5000 FILE the file on which to write the grid=histo410-5000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff410-5000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh410-5000 TEMPthe temperature at which you are operating=410.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff410-5000 FILE the file on which to write the grid=fes410-5000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights410-6000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=410.0 REWEIGHT_PRESSUREReweighting pressure=361.32845142 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights410-6000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh410-6000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh410-6000 FILE the file on which to write the grid=histo410-6000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff410-6000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh410-6000 TEMPthe temperature at which you are operating=410.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff410-6000 FILE the file on which to write the grid=fes410-6000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights410-7000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=410.0 REWEIGHT_PRESSUREReweighting pressure=421.54985999 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights410-7000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh410-7000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh410-7000 FILE the file on which to write the grid=histo410-7000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff410-7000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh410-7000 TEMPthe temperature at which you are operating=410.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff410-7000 FILE the file on which to write the grid=fes410-7000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights410-8000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=410.0 REWEIGHT_PRESSUREReweighting pressure=481.77126856 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights410-8000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh410-8000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh410-8000 FILE the file on which to write the grid=histo410-8000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff410-8000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh410-8000 TEMPthe temperature at which you are operating=410.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff410-8000 FILE the file on which to write the grid=fes410-8000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights410-9000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=410.0 REWEIGHT_PRESSUREReweighting pressure=541.9926771300001 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights410-9000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh410-9000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh410-9000 FILE the file on which to write the grid=histo410-9000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff410-9000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh410-9000 TEMPthe temperature at which you are operating=410.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff410-9000 FILE the file on which to write the grid=fes410-9000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights410-10000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=410.0 REWEIGHT_PRESSUREReweighting pressure=602.2140857 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights410-10000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh410-10000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh410-10000 FILE the file on which to write the grid=histo410-10000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff410-10000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh410-10000 TEMPthe temperature at which you are operating=410.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff410-10000 FILE the file on which to write the grid=fes410-10000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights420-0: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=420.0 REWEIGHT_PRESSUREReweighting pressure=0.0 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights420-0 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh420-0 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh420-0 FILE the file on which to write the grid=histo420-0 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff420-0: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh420-0 TEMPthe temperature at which you are operating=420.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff420-0 FILE the file on which to write the grid=fes420-0 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights420-1000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=420.0 REWEIGHT_PRESSUREReweighting pressure=60.22140857 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights420-1000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh420-1000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh420-1000 FILE the file on which to write the grid=histo420-1000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff420-1000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh420-1000 TEMPthe temperature at which you are operating=420.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff420-1000 FILE the file on which to write the grid=fes420-1000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights420-2000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=420.0 REWEIGHT_PRESSUREReweighting pressure=120.44281714 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights420-2000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh420-2000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh420-2000 FILE the file on which to write the grid=histo420-2000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff420-2000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh420-2000 TEMPthe temperature at which you are operating=420.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff420-2000 FILE the file on which to write the grid=fes420-2000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights420-3000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=420.0 REWEIGHT_PRESSUREReweighting pressure=180.66422571 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights420-3000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh420-3000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh420-3000 FILE the file on which to write the grid=histo420-3000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff420-3000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh420-3000 TEMPthe temperature at which you are operating=420.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff420-3000 FILE the file on which to write the grid=fes420-3000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights420-4000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=420.0 REWEIGHT_PRESSUREReweighting pressure=240.88563428 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights420-4000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh420-4000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh420-4000 FILE the file on which to write the grid=histo420-4000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff420-4000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh420-4000 TEMPthe temperature at which you are operating=420.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff420-4000 FILE the file on which to write the grid=fes420-4000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights420-5000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=420.0 REWEIGHT_PRESSUREReweighting pressure=301.10704285 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights420-5000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh420-5000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh420-5000 FILE the file on which to write the grid=histo420-5000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff420-5000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh420-5000 TEMPthe temperature at which you are operating=420.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff420-5000 FILE the file on which to write the grid=fes420-5000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights420-6000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=420.0 REWEIGHT_PRESSUREReweighting pressure=361.32845142 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights420-6000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh420-6000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh420-6000 FILE the file on which to write the grid=histo420-6000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff420-6000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh420-6000 TEMPthe temperature at which you are operating=420.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff420-6000 FILE the file on which to write the grid=fes420-6000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights420-7000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=420.0 REWEIGHT_PRESSUREReweighting pressure=421.54985999 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights420-7000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh420-7000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh420-7000 FILE the file on which to write the grid=histo420-7000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff420-7000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh420-7000 TEMPthe temperature at which you are operating=420.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff420-7000 FILE the file on which to write the grid=fes420-7000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights420-8000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=420.0 REWEIGHT_PRESSUREReweighting pressure=481.77126856 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights420-8000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh420-8000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh420-8000 FILE the file on which to write the grid=histo420-8000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff420-8000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh420-8000 TEMPthe temperature at which you are operating=420.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff420-8000 FILE the file on which to write the grid=fes420-8000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights420-9000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=420.0 REWEIGHT_PRESSUREReweighting pressure=541.9926771300001 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights420-9000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh420-9000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh420-9000 FILE the file on which to write the grid=histo420-9000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff420-9000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh420-9000 TEMPthe temperature at which you are operating=420.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff420-9000 FILE the file on which to write the grid=fes420-9000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights420-10000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=420.0 REWEIGHT_PRESSUREReweighting pressure=602.2140857 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights420-10000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh420-10000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh420-10000 FILE the file on which to write the grid=histo420-10000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff420-10000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh420-10000 TEMPthe temperature at which you are operating=420.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff420-10000 FILE the file on which to write the grid=fes420-10000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights430-0: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=430.0 REWEIGHT_PRESSUREReweighting pressure=0.0 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights430-0 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh430-0 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh430-0 FILE the file on which to write the grid=histo430-0 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff430-0: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh430-0 TEMPthe temperature at which you are operating=430.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff430-0 FILE the file on which to write the grid=fes430-0 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights430-1000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=430.0 REWEIGHT_PRESSUREReweighting pressure=60.22140857 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights430-1000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh430-1000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh430-1000 FILE the file on which to write the grid=histo430-1000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff430-1000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh430-1000 TEMPthe temperature at which you are operating=430.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff430-1000 FILE the file on which to write the grid=fes430-1000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights430-2000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=430.0 REWEIGHT_PRESSUREReweighting pressure=120.44281714 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights430-2000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh430-2000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh430-2000 FILE the file on which to write the grid=histo430-2000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff430-2000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh430-2000 TEMPthe temperature at which you are operating=430.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff430-2000 FILE the file on which to write the grid=fes430-2000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights430-3000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=430.0 REWEIGHT_PRESSUREReweighting pressure=180.66422571 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights430-3000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh430-3000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh430-3000 FILE the file on which to write the grid=histo430-3000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff430-3000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh430-3000 TEMPthe temperature at which you are operating=430.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff430-3000 FILE the file on which to write the grid=fes430-3000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights430-4000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=430.0 REWEIGHT_PRESSUREReweighting pressure=240.88563428 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights430-4000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh430-4000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh430-4000 FILE the file on which to write the grid=histo430-4000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff430-4000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh430-4000 TEMPthe temperature at which you are operating=430.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff430-4000 FILE the file on which to write the grid=fes430-4000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights430-5000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=430.0 REWEIGHT_PRESSUREReweighting pressure=301.10704285 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights430-5000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh430-5000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh430-5000 FILE the file on which to write the grid=histo430-5000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff430-5000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh430-5000 TEMPthe temperature at which you are operating=430.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff430-5000 FILE the file on which to write the grid=fes430-5000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights430-6000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=430.0 REWEIGHT_PRESSUREReweighting pressure=361.32845142 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights430-6000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh430-6000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh430-6000 FILE the file on which to write the grid=histo430-6000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff430-6000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh430-6000 TEMPthe temperature at which you are operating=430.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff430-6000 FILE the file on which to write the grid=fes430-6000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights430-7000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=430.0 REWEIGHT_PRESSUREReweighting pressure=421.54985999 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights430-7000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh430-7000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh430-7000 FILE the file on which to write the grid=histo430-7000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff430-7000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh430-7000 TEMPthe temperature at which you are operating=430.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff430-7000 FILE the file on which to write the grid=fes430-7000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights430-8000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=430.0 REWEIGHT_PRESSUREReweighting pressure=481.77126856 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights430-8000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh430-8000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh430-8000 FILE the file on which to write the grid=histo430-8000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff430-8000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh430-8000 TEMPthe temperature at which you are operating=430.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff430-8000 FILE the file on which to write the grid=fes430-8000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights430-9000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=430.0 REWEIGHT_PRESSUREReweighting pressure=541.9926771300001 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights430-9000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh430-9000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh430-9000 FILE the file on which to write the grid=histo430-9000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff430-9000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh430-9000 TEMPthe temperature at which you are operating=430.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff430-9000 FILE the file on which to write the grid=fes430-9000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights430-10000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=430.0 REWEIGHT_PRESSUREReweighting pressure=602.2140857 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights430-10000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh430-10000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh430-10000 FILE the file on which to write the grid=histo430-10000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff430-10000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh430-10000 TEMPthe temperature at which you are operating=430.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff430-10000 FILE the file on which to write the grid=fes430-10000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights440-0: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=440.0 REWEIGHT_PRESSUREReweighting pressure=0.0 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights440-0 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh440-0 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh440-0 FILE the file on which to write the grid=histo440-0 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff440-0: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh440-0 TEMPthe temperature at which you are operating=440.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff440-0 FILE the file on which to write the grid=fes440-0 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights440-1000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=440.0 REWEIGHT_PRESSUREReweighting pressure=60.22140857 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights440-1000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh440-1000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh440-1000 FILE the file on which to write the grid=histo440-1000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff440-1000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh440-1000 TEMPthe temperature at which you are operating=440.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff440-1000 FILE the file on which to write the grid=fes440-1000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights440-2000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=440.0 REWEIGHT_PRESSUREReweighting pressure=120.44281714 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights440-2000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh440-2000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh440-2000 FILE the file on which to write the grid=histo440-2000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff440-2000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh440-2000 TEMPthe temperature at which you are operating=440.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff440-2000 FILE the file on which to write the grid=fes440-2000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights440-3000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=440.0 REWEIGHT_PRESSUREReweighting pressure=180.66422571 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights440-3000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh440-3000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh440-3000 FILE the file on which to write the grid=histo440-3000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff440-3000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh440-3000 TEMPthe temperature at which you are operating=440.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff440-3000 FILE the file on which to write the grid=fes440-3000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights440-4000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=440.0 REWEIGHT_PRESSUREReweighting pressure=240.88563428 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights440-4000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh440-4000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh440-4000 FILE the file on which to write the grid=histo440-4000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff440-4000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh440-4000 TEMPthe temperature at which you are operating=440.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff440-4000 FILE the file on which to write the grid=fes440-4000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights440-5000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=440.0 REWEIGHT_PRESSUREReweighting pressure=301.10704285 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights440-5000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh440-5000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh440-5000 FILE the file on which to write the grid=histo440-5000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff440-5000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh440-5000 TEMPthe temperature at which you are operating=440.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff440-5000 FILE the file on which to write the grid=fes440-5000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights440-6000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=440.0 REWEIGHT_PRESSUREReweighting pressure=361.32845142 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights440-6000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh440-6000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh440-6000 FILE the file on which to write the grid=histo440-6000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff440-6000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh440-6000 TEMPthe temperature at which you are operating=440.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff440-6000 FILE the file on which to write the grid=fes440-6000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights440-7000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=440.0 REWEIGHT_PRESSUREReweighting pressure=421.54985999 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights440-7000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh440-7000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh440-7000 FILE the file on which to write the grid=histo440-7000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff440-7000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh440-7000 TEMPthe temperature at which you are operating=440.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff440-7000 FILE the file on which to write the grid=fes440-7000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights440-8000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=440.0 REWEIGHT_PRESSUREReweighting pressure=481.77126856 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights440-8000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh440-8000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh440-8000 FILE the file on which to write the grid=histo440-8000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff440-8000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh440-8000 TEMPthe temperature at which you are operating=440.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff440-8000 FILE the file on which to write the grid=fes440-8000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights440-9000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=440.0 REWEIGHT_PRESSUREReweighting pressure=541.9926771300001 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights440-9000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh440-9000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh440-9000 FILE the file on which to write the grid=histo440-9000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff440-9000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh440-9000 TEMPthe temperature at which you are operating=440.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff440-9000 FILE the file on which to write the grid=fes440-9000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights440-10000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=440.0 REWEIGHT_PRESSUREReweighting pressure=602.2140857 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights440-10000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh440-10000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh440-10000 FILE the file on which to write the grid=histo440-10000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff440-10000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh440-10000 TEMPthe temperature at which you are operating=440.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff440-10000 FILE the file on which to write the grid=fes440-10000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights450-0: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=450.0 REWEIGHT_PRESSUREReweighting pressure=0.0 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights450-0 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh450-0 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh450-0 FILE the file on which to write the grid=histo450-0 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff450-0: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh450-0 TEMPthe temperature at which you are operating=450.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff450-0 FILE the file on which to write the grid=fes450-0 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights450-1000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=450.0 REWEIGHT_PRESSUREReweighting pressure=60.22140857 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights450-1000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh450-1000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh450-1000 FILE the file on which to write the grid=histo450-1000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff450-1000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh450-1000 TEMPthe temperature at which you are operating=450.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff450-1000 FILE the file on which to write the grid=fes450-1000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights450-2000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=450.0 REWEIGHT_PRESSUREReweighting pressure=120.44281714 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights450-2000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh450-2000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh450-2000 FILE the file on which to write the grid=histo450-2000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff450-2000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh450-2000 TEMPthe temperature at which you are operating=450.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff450-2000 FILE the file on which to write the grid=fes450-2000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights450-3000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=450.0 REWEIGHT_PRESSUREReweighting pressure=180.66422571 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights450-3000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh450-3000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh450-3000 FILE the file on which to write the grid=histo450-3000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff450-3000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh450-3000 TEMPthe temperature at which you are operating=450.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff450-3000 FILE the file on which to write the grid=fes450-3000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights450-4000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=450.0 REWEIGHT_PRESSUREReweighting pressure=240.88563428 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights450-4000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh450-4000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh450-4000 FILE the file on which to write the grid=histo450-4000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff450-4000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh450-4000 TEMPthe temperature at which you are operating=450.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff450-4000 FILE the file on which to write the grid=fes450-4000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights450-5000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=450.0 REWEIGHT_PRESSUREReweighting pressure=301.10704285 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights450-5000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh450-5000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh450-5000 FILE the file on which to write the grid=histo450-5000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff450-5000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh450-5000 TEMPthe temperature at which you are operating=450.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff450-5000 FILE the file on which to write the grid=fes450-5000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights450-6000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=450.0 REWEIGHT_PRESSUREReweighting pressure=361.32845142 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights450-6000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh450-6000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh450-6000 FILE the file on which to write the grid=histo450-6000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff450-6000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh450-6000 TEMPthe temperature at which you are operating=450.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff450-6000 FILE the file on which to write the grid=fes450-6000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights450-7000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=450.0 REWEIGHT_PRESSUREReweighting pressure=421.54985999 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights450-7000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh450-7000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh450-7000 FILE the file on which to write the grid=histo450-7000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff450-7000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh450-7000 TEMPthe temperature at which you are operating=450.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff450-7000 FILE the file on which to write the grid=fes450-7000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights450-8000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=450.0 REWEIGHT_PRESSUREReweighting pressure=481.77126856 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights450-8000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh450-8000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh450-8000 FILE the file on which to write the grid=histo450-8000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff450-8000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh450-8000 TEMPthe temperature at which you are operating=450.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff450-8000 FILE the file on which to write the grid=fes450-8000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights450-9000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=450.0 REWEIGHT_PRESSUREReweighting pressure=541.9926771300001 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights450-9000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh450-9000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh450-9000 FILE the file on which to write the grid=histo450-9000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff450-9000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh450-9000 TEMPthe temperature at which you are operating=450.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff450-9000 FILE the file on which to write the grid=fes450-9000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f weights450-10000: REWEIGHT_TEMP_PRESSCalculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details TEMPthe system temperature=400 PRESSUREThe system pressure=301.10704285 REWEIGHT_TEMPReweighting temperature=450.0 REWEIGHT_PRESSUREReweighting pressure=602.2140857 ENERGYEnergy=renergy VOLUMEVolume=vol HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... ARGthe quantities that are being used to construct the histogram=refcv.morethan GRID_MIN the lower bounds for the grid=-0.5 GRID_MAX the upper bounds for the grid=250.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=1. LOGWEIGHTSthe logarithm of the quantity to use as the weights when calculating averages=weights,weights450-10000 NORMALIZATION This controls how the data is normalized it can be set equal to true, false or ndata=true LABELa label for the action so that its output can be referenced in the input to other actions=hh450-10000 CLEAR the frequency with whihc to clear the data that is being averaged=10000 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh450-10000 FILE the file on which to write the grid=histo450-10000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f ff450-10000: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDthe histogram that you would like to convert into a free energy surface (old syntax)=hh450-10000 TEMPthe temperature at which you are operating=450.0 DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=ff450-10000 FILE the file on which to write the grid=fes450-10000 STRIDE the frequency with which the grid should be output to the file=10000 FMTthe format that should be used to output real numbers=%16.10f PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=* FILEthe name of the file on which to output these quantities=COLVAR STRIDE the frequency with which the quantities of interest should be output=1 FMTthe format that should be used to output real numbers=%16.10f