PLUMED-NEST

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

Click on the labels of the actions for more information on what each action computes

# vim:ft=plumedEnables syntax highlighting for PLUMED files in vim. See here for more details. 

energy: READRead quantities from a colvar file. More 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
The READ action with label energy calculates the following quantities:
 Quantity   
 Description  
energy..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailsb1: 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
The READ action with label b1 calculates the following quantities:
 Quantity   
 Description  
b1..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailsuwall: 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
The READ action with label uwall calculates the following quantities:
 Quantity   
 Description  
uwall..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailsrefcv: 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
The READ action with label refcv calculates the following quantities:
 Quantity   
 Description  
refcv..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailsvoltmp: 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

The READ action with label voltmp calculates the following quantities:
 Quantity   
 Description  
voltmp..#!custom
the names of the output components for this action depend on the actions input file see the example inputs below for detailsvol: 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
The COMBINE action with label vol calculates the following quantities:
 Quantity   
 Description  
vol.value
a linear combinationrenergy: 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
The COMBINE action with label renergy calculates the following quantities:
 Quantity   
 Description  
renergy.value
a linear combinationweights: 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

The REWEIGHT_BIAS action with label weights calculates the following quantities:
 Quantity   
 Description  
weights.value
the weight to use for this frame to negate the effect the biasweights350-0: 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
The REWEIGHT_TEMP_PRESS action with label weights350-0 calculates the following quantities:
 Quantity   
 Description  
weights350-0.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh350-0 calculates the following quantities:
 Quantity   
 Description  
hh350-0.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The DUMPGRID action with label  calculates somethingff350-0: CONVERT_TO_FESConvert a histogram to a free energy surface. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh350-0 TEMPthe temperature at which you are operating=350.0
The CONVERT_TO_FES action with label ff350-0 calculates the following quantities:
 Quantity   
 Description  
ff350-0.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights350-1000 calculates the following quantities:
 Quantity   
 Description  
weights350-1000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh350-1000 calculates the following quantities:
 Quantity   
 Description  
hh350-1000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh350-1000 TEMPthe temperature at which you are operating=350.0
The CONVERT_TO_FES action with label ff350-1000 calculates the following quantities:
 Quantity   
 Description  
ff350-1000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights350-2000 calculates the following quantities:
 Quantity   
 Description  
weights350-2000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh350-2000 calculates the following quantities:
 Quantity   
 Description  
hh350-2000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh350-2000 TEMPthe temperature at which you are operating=350.0
The CONVERT_TO_FES action with label ff350-2000 calculates the following quantities:
 Quantity   
 Description  
ff350-2000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights350-3000 calculates the following quantities:
 Quantity   
 Description  
weights350-3000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh350-3000 calculates the following quantities:
 Quantity   
 Description  
hh350-3000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh350-3000 TEMPthe temperature at which you are operating=350.0
The CONVERT_TO_FES action with label ff350-3000 calculates the following quantities:
 Quantity   
 Description  
ff350-3000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights350-4000 calculates the following quantities:
 Quantity   
 Description  
weights350-4000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh350-4000 calculates the following quantities:
 Quantity   
 Description  
hh350-4000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh350-4000 TEMPthe temperature at which you are operating=350.0
The CONVERT_TO_FES action with label ff350-4000 calculates the following quantities:
 Quantity   
 Description  
ff350-4000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights350-5000 calculates the following quantities:
 Quantity   
 Description  
weights350-5000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh350-5000 calculates the following quantities:
 Quantity   
 Description  
hh350-5000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh350-5000 TEMPthe temperature at which you are operating=350.0
The CONVERT_TO_FES action with label ff350-5000 calculates the following quantities:
 Quantity   
 Description  
ff350-5000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights350-6000 calculates the following quantities:
 Quantity   
 Description  
weights350-6000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh350-6000 calculates the following quantities:
 Quantity   
 Description  
hh350-6000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh350-6000 TEMPthe temperature at which you are operating=350.0
The CONVERT_TO_FES action with label ff350-6000 calculates the following quantities:
 Quantity   
 Description  
ff350-6000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights350-7000 calculates the following quantities:
 Quantity   
 Description  
weights350-7000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh350-7000 calculates the following quantities:
 Quantity   
 Description  
hh350-7000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh350-7000 TEMPthe temperature at which you are operating=350.0
The CONVERT_TO_FES action with label ff350-7000 calculates the following quantities:
 Quantity   
 Description  
ff350-7000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights350-8000 calculates the following quantities:
 Quantity   
 Description  
weights350-8000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh350-8000 calculates the following quantities:
 Quantity   
 Description  
hh350-8000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh350-8000 TEMPthe temperature at which you are operating=350.0
The CONVERT_TO_FES action with label ff350-8000 calculates the following quantities:
 Quantity   
 Description  
ff350-8000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights350-9000 calculates the following quantities:
 Quantity   
 Description  
weights350-9000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh350-9000 calculates the following quantities:
 Quantity   
 Description  
hh350-9000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh350-9000 TEMPthe temperature at which you are operating=350.0
The CONVERT_TO_FES action with label ff350-9000 calculates the following quantities:
 Quantity   
 Description  
ff350-9000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights350-10000 calculates the following quantities:
 Quantity   
 Description  
weights350-10000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh350-10000 calculates the following quantities:
 Quantity   
 Description  
hh350-10000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh350-10000 TEMPthe temperature at which you are operating=350.0
The CONVERT_TO_FES action with label ff350-10000 calculates the following quantities:
 Quantity   
 Description  
ff350-10000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights360-0 calculates the following quantities:
 Quantity   
 Description  
weights360-0.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh360-0 calculates the following quantities:
 Quantity   
 Description  
hh360-0.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh360-0 TEMPthe temperature at which you are operating=360.0
The CONVERT_TO_FES action with label ff360-0 calculates the following quantities:
 Quantity   
 Description  
ff360-0.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights360-1000 calculates the following quantities:
 Quantity   
 Description  
weights360-1000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh360-1000 calculates the following quantities:
 Quantity   
 Description  
hh360-1000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh360-1000 TEMPthe temperature at which you are operating=360.0
The CONVERT_TO_FES action with label ff360-1000 calculates the following quantities:
 Quantity   
 Description  
ff360-1000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights360-2000 calculates the following quantities:
 Quantity   
 Description  
weights360-2000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh360-2000 calculates the following quantities:
 Quantity   
 Description  
hh360-2000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh360-2000 TEMPthe temperature at which you are operating=360.0
The CONVERT_TO_FES action with label ff360-2000 calculates the following quantities:
 Quantity   
 Description  
ff360-2000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights360-3000 calculates the following quantities:
 Quantity   
 Description  
weights360-3000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh360-3000 calculates the following quantities:
 Quantity   
 Description  
hh360-3000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh360-3000 TEMPthe temperature at which you are operating=360.0
The CONVERT_TO_FES action with label ff360-3000 calculates the following quantities:
 Quantity   
 Description  
ff360-3000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights360-4000 calculates the following quantities:
 Quantity   
 Description  
weights360-4000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh360-4000 calculates the following quantities:
 Quantity   
 Description  
hh360-4000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh360-4000 TEMPthe temperature at which you are operating=360.0
The CONVERT_TO_FES action with label ff360-4000 calculates the following quantities:
 Quantity   
 Description  
ff360-4000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights360-5000 calculates the following quantities:
 Quantity   
 Description  
weights360-5000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh360-5000 calculates the following quantities:
 Quantity   
 Description  
hh360-5000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh360-5000 TEMPthe temperature at which you are operating=360.0
The CONVERT_TO_FES action with label ff360-5000 calculates the following quantities:
 Quantity   
 Description  
ff360-5000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights360-6000 calculates the following quantities:
 Quantity   
 Description  
weights360-6000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh360-6000 calculates the following quantities:
 Quantity   
 Description  
hh360-6000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh360-6000 TEMPthe temperature at which you are operating=360.0
The CONVERT_TO_FES action with label ff360-6000 calculates the following quantities:
 Quantity   
 Description  
ff360-6000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights360-7000 calculates the following quantities:
 Quantity   
 Description  
weights360-7000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh360-7000 calculates the following quantities:
 Quantity   
 Description  
hh360-7000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh360-7000 TEMPthe temperature at which you are operating=360.0
The CONVERT_TO_FES action with label ff360-7000 calculates the following quantities:
 Quantity   
 Description  
ff360-7000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights360-8000 calculates the following quantities:
 Quantity   
 Description  
weights360-8000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh360-8000 calculates the following quantities:
 Quantity   
 Description  
hh360-8000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh360-8000 TEMPthe temperature at which you are operating=360.0
The CONVERT_TO_FES action with label ff360-8000 calculates the following quantities:
 Quantity   
 Description  
ff360-8000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights360-9000 calculates the following quantities:
 Quantity   
 Description  
weights360-9000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh360-9000 calculates the following quantities:
 Quantity   
 Description  
hh360-9000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh360-9000 TEMPthe temperature at which you are operating=360.0
The CONVERT_TO_FES action with label ff360-9000 calculates the following quantities:
 Quantity   
 Description  
ff360-9000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights360-10000 calculates the following quantities:
 Quantity   
 Description  
weights360-10000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh360-10000 calculates the following quantities:
 Quantity   
 Description  
hh360-10000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh360-10000 TEMPthe temperature at which you are operating=360.0
The CONVERT_TO_FES action with label ff360-10000 calculates the following quantities:
 Quantity   
 Description  
ff360-10000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights370-0 calculates the following quantities:
 Quantity   
 Description  
weights370-0.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh370-0 calculates the following quantities:
 Quantity   
 Description  
hh370-0.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh370-0 TEMPthe temperature at which you are operating=370.0
The CONVERT_TO_FES action with label ff370-0 calculates the following quantities:
 Quantity   
 Description  
ff370-0.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights370-1000 calculates the following quantities:
 Quantity   
 Description  
weights370-1000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh370-1000 calculates the following quantities:
 Quantity   
 Description  
hh370-1000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh370-1000 TEMPthe temperature at which you are operating=370.0
The CONVERT_TO_FES action with label ff370-1000 calculates the following quantities:
 Quantity   
 Description  
ff370-1000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights370-2000 calculates the following quantities:
 Quantity   
 Description  
weights370-2000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh370-2000 calculates the following quantities:
 Quantity   
 Description  
hh370-2000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh370-2000 TEMPthe temperature at which you are operating=370.0
The CONVERT_TO_FES action with label ff370-2000 calculates the following quantities:
 Quantity   
 Description  
ff370-2000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights370-3000 calculates the following quantities:
 Quantity   
 Description  
weights370-3000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh370-3000 calculates the following quantities:
 Quantity   
 Description  
hh370-3000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh370-3000 TEMPthe temperature at which you are operating=370.0
The CONVERT_TO_FES action with label ff370-3000 calculates the following quantities:
 Quantity   
 Description  
ff370-3000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights370-4000 calculates the following quantities:
 Quantity   
 Description  
weights370-4000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh370-4000 calculates the following quantities:
 Quantity   
 Description  
hh370-4000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh370-4000 TEMPthe temperature at which you are operating=370.0
The CONVERT_TO_FES action with label ff370-4000 calculates the following quantities:
 Quantity   
 Description  
ff370-4000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights370-5000 calculates the following quantities:
 Quantity   
 Description  
weights370-5000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh370-5000 calculates the following quantities:
 Quantity   
 Description  
hh370-5000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh370-5000 TEMPthe temperature at which you are operating=370.0
The CONVERT_TO_FES action with label ff370-5000 calculates the following quantities:
 Quantity   
 Description  
ff370-5000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights370-6000 calculates the following quantities:
 Quantity   
 Description  
weights370-6000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh370-6000 calculates the following quantities:
 Quantity   
 Description  
hh370-6000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh370-6000 TEMPthe temperature at which you are operating=370.0
The CONVERT_TO_FES action with label ff370-6000 calculates the following quantities:
 Quantity   
 Description  
ff370-6000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights370-7000 calculates the following quantities:
 Quantity   
 Description  
weights370-7000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh370-7000 calculates the following quantities:
 Quantity   
 Description  
hh370-7000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh370-7000 TEMPthe temperature at which you are operating=370.0
The CONVERT_TO_FES action with label ff370-7000 calculates the following quantities:
 Quantity   
 Description  
ff370-7000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights370-8000 calculates the following quantities:
 Quantity   
 Description  
weights370-8000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh370-8000 calculates the following quantities:
 Quantity   
 Description  
hh370-8000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh370-8000 TEMPthe temperature at which you are operating=370.0
The CONVERT_TO_FES action with label ff370-8000 calculates the following quantities:
 Quantity   
 Description  
ff370-8000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights370-9000 calculates the following quantities:
 Quantity   
 Description  
weights370-9000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh370-9000 calculates the following quantities:
 Quantity   
 Description  
hh370-9000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh370-9000 TEMPthe temperature at which you are operating=370.0
The CONVERT_TO_FES action with label ff370-9000 calculates the following quantities:
 Quantity   
 Description  
ff370-9000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights370-10000 calculates the following quantities:
 Quantity   
 Description  
weights370-10000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh370-10000 calculates the following quantities:
 Quantity   
 Description  
hh370-10000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh370-10000 TEMPthe temperature at which you are operating=370.0
The CONVERT_TO_FES action with label ff370-10000 calculates the following quantities:
 Quantity   
 Description  
ff370-10000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights380-0 calculates the following quantities:
 Quantity   
 Description  
weights380-0.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh380-0 calculates the following quantities:
 Quantity   
 Description  
hh380-0.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh380-0 TEMPthe temperature at which you are operating=380.0
The CONVERT_TO_FES action with label ff380-0 calculates the following quantities:
 Quantity   
 Description  
ff380-0.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights380-1000 calculates the following quantities:
 Quantity   
 Description  
weights380-1000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh380-1000 calculates the following quantities:
 Quantity   
 Description  
hh380-1000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh380-1000 TEMPthe temperature at which you are operating=380.0
The CONVERT_TO_FES action with label ff380-1000 calculates the following quantities:
 Quantity   
 Description  
ff380-1000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights380-2000 calculates the following quantities:
 Quantity   
 Description  
weights380-2000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh380-2000 calculates the following quantities:
 Quantity   
 Description  
hh380-2000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh380-2000 TEMPthe temperature at which you are operating=380.0
The CONVERT_TO_FES action with label ff380-2000 calculates the following quantities:
 Quantity   
 Description  
ff380-2000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights380-3000 calculates the following quantities:
 Quantity   
 Description  
weights380-3000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh380-3000 calculates the following quantities:
 Quantity   
 Description  
hh380-3000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh380-3000 TEMPthe temperature at which you are operating=380.0
The CONVERT_TO_FES action with label ff380-3000 calculates the following quantities:
 Quantity   
 Description  
ff380-3000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights380-4000 calculates the following quantities:
 Quantity   
 Description  
weights380-4000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh380-4000 calculates the following quantities:
 Quantity   
 Description  
hh380-4000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh380-4000 TEMPthe temperature at which you are operating=380.0
The CONVERT_TO_FES action with label ff380-4000 calculates the following quantities:
 Quantity   
 Description  
ff380-4000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights380-5000 calculates the following quantities:
 Quantity   
 Description  
weights380-5000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh380-5000 calculates the following quantities:
 Quantity   
 Description  
hh380-5000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh380-5000 TEMPthe temperature at which you are operating=380.0
The CONVERT_TO_FES action with label ff380-5000 calculates the following quantities:
 Quantity   
 Description  
ff380-5000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights380-6000 calculates the following quantities:
 Quantity   
 Description  
weights380-6000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh380-6000 calculates the following quantities:
 Quantity   
 Description  
hh380-6000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh380-6000 TEMPthe temperature at which you are operating=380.0
The CONVERT_TO_FES action with label ff380-6000 calculates the following quantities:
 Quantity   
 Description  
ff380-6000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights380-7000 calculates the following quantities:
 Quantity   
 Description  
weights380-7000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh380-7000 calculates the following quantities:
 Quantity   
 Description  
hh380-7000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh380-7000 TEMPthe temperature at which you are operating=380.0
The CONVERT_TO_FES action with label ff380-7000 calculates the following quantities:
 Quantity   
 Description  
ff380-7000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights380-8000 calculates the following quantities:
 Quantity   
 Description  
weights380-8000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh380-8000 calculates the following quantities:
 Quantity   
 Description  
hh380-8000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh380-8000 TEMPthe temperature at which you are operating=380.0
The CONVERT_TO_FES action with label ff380-8000 calculates the following quantities:
 Quantity   
 Description  
ff380-8000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights380-9000 calculates the following quantities:
 Quantity   
 Description  
weights380-9000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh380-9000 calculates the following quantities:
 Quantity   
 Description  
hh380-9000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh380-9000 TEMPthe temperature at which you are operating=380.0
The CONVERT_TO_FES action with label ff380-9000 calculates the following quantities:
 Quantity   
 Description  
ff380-9000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights380-10000 calculates the following quantities:
 Quantity   
 Description  
weights380-10000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh380-10000 calculates the following quantities:
 Quantity   
 Description  
hh380-10000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh380-10000 TEMPthe temperature at which you are operating=380.0
The CONVERT_TO_FES action with label ff380-10000 calculates the following quantities:
 Quantity   
 Description  
ff380-10000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights390-0 calculates the following quantities:
 Quantity   
 Description  
weights390-0.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh390-0 calculates the following quantities:
 Quantity   
 Description  
hh390-0.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh390-0 TEMPthe temperature at which you are operating=390.0
The CONVERT_TO_FES action with label ff390-0 calculates the following quantities:
 Quantity   
 Description  
ff390-0.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights390-1000 calculates the following quantities:
 Quantity   
 Description  
weights390-1000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh390-1000 calculates the following quantities:
 Quantity   
 Description  
hh390-1000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh390-1000 TEMPthe temperature at which you are operating=390.0
The CONVERT_TO_FES action with label ff390-1000 calculates the following quantities:
 Quantity   
 Description  
ff390-1000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights390-2000 calculates the following quantities:
 Quantity   
 Description  
weights390-2000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh390-2000 calculates the following quantities:
 Quantity   
 Description  
hh390-2000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh390-2000 TEMPthe temperature at which you are operating=390.0
The CONVERT_TO_FES action with label ff390-2000 calculates the following quantities:
 Quantity   
 Description  
ff390-2000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights390-3000 calculates the following quantities:
 Quantity   
 Description  
weights390-3000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh390-3000 calculates the following quantities:
 Quantity   
 Description  
hh390-3000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh390-3000 TEMPthe temperature at which you are operating=390.0
The CONVERT_TO_FES action with label ff390-3000 calculates the following quantities:
 Quantity   
 Description  
ff390-3000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights390-4000 calculates the following quantities:
 Quantity   
 Description  
weights390-4000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh390-4000 calculates the following quantities:
 Quantity   
 Description  
hh390-4000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh390-4000 TEMPthe temperature at which you are operating=390.0
The CONVERT_TO_FES action with label ff390-4000 calculates the following quantities:
 Quantity   
 Description  
ff390-4000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights390-5000 calculates the following quantities:
 Quantity   
 Description  
weights390-5000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh390-5000 calculates the following quantities:
 Quantity   
 Description  
hh390-5000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh390-5000 TEMPthe temperature at which you are operating=390.0
The CONVERT_TO_FES action with label ff390-5000 calculates the following quantities:
 Quantity   
 Description  
ff390-5000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights390-6000 calculates the following quantities:
 Quantity   
 Description  
weights390-6000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh390-6000 calculates the following quantities:
 Quantity   
 Description  
hh390-6000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh390-6000 TEMPthe temperature at which you are operating=390.0
The CONVERT_TO_FES action with label ff390-6000 calculates the following quantities:
 Quantity   
 Description  
ff390-6000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights390-7000 calculates the following quantities:
 Quantity   
 Description  
weights390-7000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh390-7000 calculates the following quantities:
 Quantity   
 Description  
hh390-7000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh390-7000 TEMPthe temperature at which you are operating=390.0
The CONVERT_TO_FES action with label ff390-7000 calculates the following quantities:
 Quantity   
 Description  
ff390-7000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights390-8000 calculates the following quantities:
 Quantity   
 Description  
weights390-8000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh390-8000 calculates the following quantities:
 Quantity   
 Description  
hh390-8000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh390-8000 TEMPthe temperature at which you are operating=390.0
The CONVERT_TO_FES action with label ff390-8000 calculates the following quantities:
 Quantity   
 Description  
ff390-8000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights390-9000 calculates the following quantities:
 Quantity   
 Description  
weights390-9000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh390-9000 calculates the following quantities:
 Quantity   
 Description  
hh390-9000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh390-9000 TEMPthe temperature at which you are operating=390.0
The CONVERT_TO_FES action with label ff390-9000 calculates the following quantities:
 Quantity   
 Description  
ff390-9000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights390-10000 calculates the following quantities:
 Quantity   
 Description  
weights390-10000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh390-10000 calculates the following quantities:
 Quantity   
 Description  
hh390-10000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh390-10000 TEMPthe temperature at which you are operating=390.0
The CONVERT_TO_FES action with label ff390-10000 calculates the following quantities:
 Quantity   
 Description  
ff390-10000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights400-0 calculates the following quantities:
 Quantity   
 Description  
weights400-0.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh400-0 calculates the following quantities:
 Quantity   
 Description  
hh400-0.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh400-0 TEMPthe temperature at which you are operating=400.0
The CONVERT_TO_FES action with label ff400-0 calculates the following quantities:
 Quantity   
 Description  
ff400-0.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights400-1000 calculates the following quantities:
 Quantity   
 Description  
weights400-1000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh400-1000 calculates the following quantities:
 Quantity   
 Description  
hh400-1000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh400-1000 TEMPthe temperature at which you are operating=400.0
The CONVERT_TO_FES action with label ff400-1000 calculates the following quantities:
 Quantity   
 Description  
ff400-1000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights400-2000 calculates the following quantities:
 Quantity   
 Description  
weights400-2000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh400-2000 calculates the following quantities:
 Quantity   
 Description  
hh400-2000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh400-2000 TEMPthe temperature at which you are operating=400.0
The CONVERT_TO_FES action with label ff400-2000 calculates the following quantities:
 Quantity   
 Description  
ff400-2000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights400-3000 calculates the following quantities:
 Quantity   
 Description  
weights400-3000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh400-3000 calculates the following quantities:
 Quantity   
 Description  
hh400-3000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh400-3000 TEMPthe temperature at which you are operating=400.0
The CONVERT_TO_FES action with label ff400-3000 calculates the following quantities:
 Quantity   
 Description  
ff400-3000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights400-4000 calculates the following quantities:
 Quantity   
 Description  
weights400-4000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh400-4000 calculates the following quantities:
 Quantity   
 Description  
hh400-4000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh400-4000 TEMPthe temperature at which you are operating=400.0
The CONVERT_TO_FES action with label ff400-4000 calculates the following quantities:
 Quantity   
 Description  
ff400-4000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights400-5000 calculates the following quantities:
 Quantity   
 Description  
weights400-5000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh400-5000 calculates the following quantities:
 Quantity   
 Description  
hh400-5000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh400-5000 TEMPthe temperature at which you are operating=400.0
The CONVERT_TO_FES action with label ff400-5000 calculates the following quantities:
 Quantity   
 Description  
ff400-5000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights400-6000 calculates the following quantities:
 Quantity   
 Description  
weights400-6000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh400-6000 calculates the following quantities:
 Quantity   
 Description  
hh400-6000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh400-6000 TEMPthe temperature at which you are operating=400.0
The CONVERT_TO_FES action with label ff400-6000 calculates the following quantities:
 Quantity   
 Description  
ff400-6000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights400-7000 calculates the following quantities:
 Quantity   
 Description  
weights400-7000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh400-7000 calculates the following quantities:
 Quantity   
 Description  
hh400-7000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh400-7000 TEMPthe temperature at which you are operating=400.0
The CONVERT_TO_FES action with label ff400-7000 calculates the following quantities:
 Quantity   
 Description  
ff400-7000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights400-8000 calculates the following quantities:
 Quantity   
 Description  
weights400-8000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh400-8000 calculates the following quantities:
 Quantity   
 Description  
hh400-8000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh400-8000 TEMPthe temperature at which you are operating=400.0
The CONVERT_TO_FES action with label ff400-8000 calculates the following quantities:
 Quantity   
 Description  
ff400-8000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights400-9000 calculates the following quantities:
 Quantity   
 Description  
weights400-9000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh400-9000 calculates the following quantities:
 Quantity   
 Description  
hh400-9000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh400-9000 TEMPthe temperature at which you are operating=400.0
The CONVERT_TO_FES action with label ff400-9000 calculates the following quantities:
 Quantity   
 Description  
ff400-9000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights400-10000 calculates the following quantities:
 Quantity   
 Description  
weights400-10000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh400-10000 calculates the following quantities:
 Quantity   
 Description  
hh400-10000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh400-10000 TEMPthe temperature at which you are operating=400.0
The CONVERT_TO_FES action with label ff400-10000 calculates the following quantities:
 Quantity   
 Description  
ff400-10000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights410-0 calculates the following quantities:
 Quantity   
 Description  
weights410-0.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh410-0 calculates the following quantities:
 Quantity   
 Description  
hh410-0.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh410-0 TEMPthe temperature at which you are operating=410.0
The CONVERT_TO_FES action with label ff410-0 calculates the following quantities:
 Quantity   
 Description  
ff410-0.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights410-1000 calculates the following quantities:
 Quantity   
 Description  
weights410-1000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh410-1000 calculates the following quantities:
 Quantity   
 Description  
hh410-1000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh410-1000 TEMPthe temperature at which you are operating=410.0
The CONVERT_TO_FES action with label ff410-1000 calculates the following quantities:
 Quantity   
 Description  
ff410-1000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights410-2000 calculates the following quantities:
 Quantity   
 Description  
weights410-2000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh410-2000 calculates the following quantities:
 Quantity   
 Description  
hh410-2000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh410-2000 TEMPthe temperature at which you are operating=410.0
The CONVERT_TO_FES action with label ff410-2000 calculates the following quantities:
 Quantity   
 Description  
ff410-2000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights410-3000 calculates the following quantities:
 Quantity   
 Description  
weights410-3000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh410-3000 calculates the following quantities:
 Quantity   
 Description  
hh410-3000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh410-3000 TEMPthe temperature at which you are operating=410.0
The CONVERT_TO_FES action with label ff410-3000 calculates the following quantities:
 Quantity   
 Description  
ff410-3000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights410-4000 calculates the following quantities:
 Quantity   
 Description  
weights410-4000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh410-4000 calculates the following quantities:
 Quantity   
 Description  
hh410-4000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh410-4000 TEMPthe temperature at which you are operating=410.0
The CONVERT_TO_FES action with label ff410-4000 calculates the following quantities:
 Quantity   
 Description  
ff410-4000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights410-5000 calculates the following quantities:
 Quantity   
 Description  
weights410-5000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh410-5000 calculates the following quantities:
 Quantity   
 Description  
hh410-5000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh410-5000 TEMPthe temperature at which you are operating=410.0
The CONVERT_TO_FES action with label ff410-5000 calculates the following quantities:
 Quantity   
 Description  
ff410-5000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights410-6000 calculates the following quantities:
 Quantity   
 Description  
weights410-6000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh410-6000 calculates the following quantities:
 Quantity   
 Description  
hh410-6000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh410-6000 TEMPthe temperature at which you are operating=410.0
The CONVERT_TO_FES action with label ff410-6000 calculates the following quantities:
 Quantity   
 Description  
ff410-6000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights410-7000 calculates the following quantities:
 Quantity   
 Description  
weights410-7000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh410-7000 calculates the following quantities:
 Quantity   
 Description  
hh410-7000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh410-7000 TEMPthe temperature at which you are operating=410.0
The CONVERT_TO_FES action with label ff410-7000 calculates the following quantities:
 Quantity   
 Description  
ff410-7000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights410-8000 calculates the following quantities:
 Quantity   
 Description  
weights410-8000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh410-8000 calculates the following quantities:
 Quantity   
 Description  
hh410-8000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh410-8000 TEMPthe temperature at which you are operating=410.0
The CONVERT_TO_FES action with label ff410-8000 calculates the following quantities:
 Quantity   
 Description  
ff410-8000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights410-9000 calculates the following quantities:
 Quantity   
 Description  
weights410-9000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh410-9000 calculates the following quantities:
 Quantity   
 Description  
hh410-9000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh410-9000 TEMPthe temperature at which you are operating=410.0
The CONVERT_TO_FES action with label ff410-9000 calculates the following quantities:
 Quantity   
 Description  
ff410-9000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights410-10000 calculates the following quantities:
 Quantity   
 Description  
weights410-10000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh410-10000 calculates the following quantities:
 Quantity   
 Description  
hh410-10000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh410-10000 TEMPthe temperature at which you are operating=410.0
The CONVERT_TO_FES action with label ff410-10000 calculates the following quantities:
 Quantity   
 Description  
ff410-10000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights420-0 calculates the following quantities:
 Quantity   
 Description  
weights420-0.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh420-0 calculates the following quantities:
 Quantity   
 Description  
hh420-0.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh420-0 TEMPthe temperature at which you are operating=420.0
The CONVERT_TO_FES action with label ff420-0 calculates the following quantities:
 Quantity   
 Description  
ff420-0.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights420-1000 calculates the following quantities:
 Quantity   
 Description  
weights420-1000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh420-1000 calculates the following quantities:
 Quantity   
 Description  
hh420-1000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh420-1000 TEMPthe temperature at which you are operating=420.0
The CONVERT_TO_FES action with label ff420-1000 calculates the following quantities:
 Quantity   
 Description  
ff420-1000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights420-2000 calculates the following quantities:
 Quantity   
 Description  
weights420-2000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh420-2000 calculates the following quantities:
 Quantity   
 Description  
hh420-2000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh420-2000 TEMPthe temperature at which you are operating=420.0
The CONVERT_TO_FES action with label ff420-2000 calculates the following quantities:
 Quantity   
 Description  
ff420-2000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights420-3000 calculates the following quantities:
 Quantity   
 Description  
weights420-3000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh420-3000 calculates the following quantities:
 Quantity   
 Description  
hh420-3000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh420-3000 TEMPthe temperature at which you are operating=420.0
The CONVERT_TO_FES action with label ff420-3000 calculates the following quantities:
 Quantity   
 Description  
ff420-3000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights420-4000 calculates the following quantities:
 Quantity   
 Description  
weights420-4000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh420-4000 calculates the following quantities:
 Quantity   
 Description  
hh420-4000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh420-4000 TEMPthe temperature at which you are operating=420.0
The CONVERT_TO_FES action with label ff420-4000 calculates the following quantities:
 Quantity   
 Description  
ff420-4000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights420-5000 calculates the following quantities:
 Quantity   
 Description  
weights420-5000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh420-5000 calculates the following quantities:
 Quantity   
 Description  
hh420-5000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh420-5000 TEMPthe temperature at which you are operating=420.0
The CONVERT_TO_FES action with label ff420-5000 calculates the following quantities:
 Quantity   
 Description  
ff420-5000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights420-6000 calculates the following quantities:
 Quantity   
 Description  
weights420-6000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh420-6000 calculates the following quantities:
 Quantity   
 Description  
hh420-6000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh420-6000 TEMPthe temperature at which you are operating=420.0
The CONVERT_TO_FES action with label ff420-6000 calculates the following quantities:
 Quantity   
 Description  
ff420-6000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights420-7000 calculates the following quantities:
 Quantity   
 Description  
weights420-7000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh420-7000 calculates the following quantities:
 Quantity   
 Description  
hh420-7000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh420-7000 TEMPthe temperature at which you are operating=420.0
The CONVERT_TO_FES action with label ff420-7000 calculates the following quantities:
 Quantity   
 Description  
ff420-7000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights420-8000 calculates the following quantities:
 Quantity   
 Description  
weights420-8000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh420-8000 calculates the following quantities:
 Quantity   
 Description  
hh420-8000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh420-8000 TEMPthe temperature at which you are operating=420.0
The CONVERT_TO_FES action with label ff420-8000 calculates the following quantities:
 Quantity   
 Description  
ff420-8000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights420-9000 calculates the following quantities:
 Quantity   
 Description  
weights420-9000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh420-9000 calculates the following quantities:
 Quantity   
 Description  
hh420-9000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh420-9000 TEMPthe temperature at which you are operating=420.0
The CONVERT_TO_FES action with label ff420-9000 calculates the following quantities:
 Quantity   
 Description  
ff420-9000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights420-10000 calculates the following quantities:
 Quantity   
 Description  
weights420-10000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh420-10000 calculates the following quantities:
 Quantity   
 Description  
hh420-10000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh420-10000 TEMPthe temperature at which you are operating=420.0
The CONVERT_TO_FES action with label ff420-10000 calculates the following quantities:
 Quantity   
 Description  
ff420-10000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights430-0 calculates the following quantities:
 Quantity   
 Description  
weights430-0.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh430-0 calculates the following quantities:
 Quantity   
 Description  
hh430-0.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh430-0 TEMPthe temperature at which you are operating=430.0
The CONVERT_TO_FES action with label ff430-0 calculates the following quantities:
 Quantity   
 Description  
ff430-0.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights430-1000 calculates the following quantities:
 Quantity   
 Description  
weights430-1000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh430-1000 calculates the following quantities:
 Quantity   
 Description  
hh430-1000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh430-1000 TEMPthe temperature at which you are operating=430.0
The CONVERT_TO_FES action with label ff430-1000 calculates the following quantities:
 Quantity   
 Description  
ff430-1000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights430-2000 calculates the following quantities:
 Quantity   
 Description  
weights430-2000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh430-2000 calculates the following quantities:
 Quantity   
 Description  
hh430-2000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh430-2000 TEMPthe temperature at which you are operating=430.0
The CONVERT_TO_FES action with label ff430-2000 calculates the following quantities:
 Quantity   
 Description  
ff430-2000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights430-3000 calculates the following quantities:
 Quantity   
 Description  
weights430-3000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh430-3000 calculates the following quantities:
 Quantity   
 Description  
hh430-3000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh430-3000 TEMPthe temperature at which you are operating=430.0
The CONVERT_TO_FES action with label ff430-3000 calculates the following quantities:
 Quantity   
 Description  
ff430-3000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights430-4000 calculates the following quantities:
 Quantity   
 Description  
weights430-4000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh430-4000 calculates the following quantities:
 Quantity   
 Description  
hh430-4000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh430-4000 TEMPthe temperature at which you are operating=430.0
The CONVERT_TO_FES action with label ff430-4000 calculates the following quantities:
 Quantity   
 Description  
ff430-4000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights430-5000 calculates the following quantities:
 Quantity   
 Description  
weights430-5000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh430-5000 calculates the following quantities:
 Quantity   
 Description  
hh430-5000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh430-5000 TEMPthe temperature at which you are operating=430.0
The CONVERT_TO_FES action with label ff430-5000 calculates the following quantities:
 Quantity   
 Description  
ff430-5000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights430-6000 calculates the following quantities:
 Quantity   
 Description  
weights430-6000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh430-6000 calculates the following quantities:
 Quantity   
 Description  
hh430-6000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh430-6000 TEMPthe temperature at which you are operating=430.0
The CONVERT_TO_FES action with label ff430-6000 calculates the following quantities:
 Quantity   
 Description  
ff430-6000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights430-7000 calculates the following quantities:
 Quantity   
 Description  
weights430-7000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh430-7000 calculates the following quantities:
 Quantity   
 Description  
hh430-7000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh430-7000 TEMPthe temperature at which you are operating=430.0
The CONVERT_TO_FES action with label ff430-7000 calculates the following quantities:
 Quantity   
 Description  
ff430-7000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights430-8000 calculates the following quantities:
 Quantity   
 Description  
weights430-8000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh430-8000 calculates the following quantities:
 Quantity   
 Description  
hh430-8000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh430-8000 TEMPthe temperature at which you are operating=430.0
The CONVERT_TO_FES action with label ff430-8000 calculates the following quantities:
 Quantity   
 Description  
ff430-8000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights430-9000 calculates the following quantities:
 Quantity   
 Description  
weights430-9000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh430-9000 calculates the following quantities:
 Quantity   
 Description  
hh430-9000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh430-9000 TEMPthe temperature at which you are operating=430.0
The CONVERT_TO_FES action with label ff430-9000 calculates the following quantities:
 Quantity   
 Description  
ff430-9000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights430-10000 calculates the following quantities:
 Quantity   
 Description  
weights430-10000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh430-10000 calculates the following quantities:
 Quantity   
 Description  
hh430-10000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh430-10000 TEMPthe temperature at which you are operating=430.0
The CONVERT_TO_FES action with label ff430-10000 calculates the following quantities:
 Quantity   
 Description  
ff430-10000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights440-0 calculates the following quantities:
 Quantity   
 Description  
weights440-0.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh440-0 calculates the following quantities:
 Quantity   
 Description  
hh440-0.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh440-0 TEMPthe temperature at which you are operating=440.0
The CONVERT_TO_FES action with label ff440-0 calculates the following quantities:
 Quantity   
 Description  
ff440-0.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights440-1000 calculates the following quantities:
 Quantity   
 Description  
weights440-1000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh440-1000 calculates the following quantities:
 Quantity   
 Description  
hh440-1000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh440-1000 TEMPthe temperature at which you are operating=440.0
The CONVERT_TO_FES action with label ff440-1000 calculates the following quantities:
 Quantity   
 Description  
ff440-1000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights440-2000 calculates the following quantities:
 Quantity   
 Description  
weights440-2000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh440-2000 calculates the following quantities:
 Quantity   
 Description  
hh440-2000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh440-2000 TEMPthe temperature at which you are operating=440.0
The CONVERT_TO_FES action with label ff440-2000 calculates the following quantities:
 Quantity   
 Description  
ff440-2000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights440-3000 calculates the following quantities:
 Quantity   
 Description  
weights440-3000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh440-3000 calculates the following quantities:
 Quantity   
 Description  
hh440-3000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh440-3000 TEMPthe temperature at which you are operating=440.0
The CONVERT_TO_FES action with label ff440-3000 calculates the following quantities:
 Quantity   
 Description  
ff440-3000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights440-4000 calculates the following quantities:
 Quantity   
 Description  
weights440-4000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh440-4000 calculates the following quantities:
 Quantity   
 Description  
hh440-4000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh440-4000 TEMPthe temperature at which you are operating=440.0
The CONVERT_TO_FES action with label ff440-4000 calculates the following quantities:
 Quantity   
 Description  
ff440-4000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights440-5000 calculates the following quantities:
 Quantity   
 Description  
weights440-5000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh440-5000 calculates the following quantities:
 Quantity   
 Description  
hh440-5000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh440-5000 TEMPthe temperature at which you are operating=440.0
The CONVERT_TO_FES action with label ff440-5000 calculates the following quantities:
 Quantity   
 Description  
ff440-5000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights440-6000 calculates the following quantities:
 Quantity   
 Description  
weights440-6000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh440-6000 calculates the following quantities:
 Quantity   
 Description  
hh440-6000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh440-6000 TEMPthe temperature at which you are operating=440.0
The CONVERT_TO_FES action with label ff440-6000 calculates the following quantities:
 Quantity   
 Description  
ff440-6000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights440-7000 calculates the following quantities:
 Quantity   
 Description  
weights440-7000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh440-7000 calculates the following quantities:
 Quantity   
 Description  
hh440-7000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh440-7000 TEMPthe temperature at which you are operating=440.0
The CONVERT_TO_FES action with label ff440-7000 calculates the following quantities:
 Quantity   
 Description  
ff440-7000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights440-8000 calculates the following quantities:
 Quantity   
 Description  
weights440-8000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh440-8000 calculates the following quantities:
 Quantity   
 Description  
hh440-8000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh440-8000 TEMPthe temperature at which you are operating=440.0
The CONVERT_TO_FES action with label ff440-8000 calculates the following quantities:
 Quantity   
 Description  
ff440-8000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights440-9000 calculates the following quantities:
 Quantity   
 Description  
weights440-9000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh440-9000 calculates the following quantities:
 Quantity   
 Description  
hh440-9000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh440-9000 TEMPthe temperature at which you are operating=440.0
The CONVERT_TO_FES action with label ff440-9000 calculates the following quantities:
 Quantity   
 Description  
ff440-9000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights440-10000 calculates the following quantities:
 Quantity   
 Description  
weights440-10000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh440-10000 calculates the following quantities:
 Quantity   
 Description  
hh440-10000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh440-10000 TEMPthe temperature at which you are operating=440.0
The CONVERT_TO_FES action with label ff440-10000 calculates the following quantities:
 Quantity   
 Description  
ff440-10000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights450-0 calculates the following quantities:
 Quantity   
 Description  
weights450-0.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh450-0 calculates the following quantities:
 Quantity   
 Description  
hh450-0.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh450-0 TEMPthe temperature at which you are operating=450.0
The CONVERT_TO_FES action with label ff450-0 calculates the following quantities:
 Quantity   
 Description  
ff450-0.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights450-1000 calculates the following quantities:
 Quantity   
 Description  
weights450-1000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh450-1000 calculates the following quantities:
 Quantity   
 Description  
hh450-1000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh450-1000 TEMPthe temperature at which you are operating=450.0
The CONVERT_TO_FES action with label ff450-1000 calculates the following quantities:
 Quantity   
 Description  
ff450-1000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights450-2000 calculates the following quantities:
 Quantity   
 Description  
weights450-2000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh450-2000 calculates the following quantities:
 Quantity   
 Description  
hh450-2000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh450-2000 TEMPthe temperature at which you are operating=450.0
The CONVERT_TO_FES action with label ff450-2000 calculates the following quantities:
 Quantity   
 Description  
ff450-2000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights450-3000 calculates the following quantities:
 Quantity   
 Description  
weights450-3000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh450-3000 calculates the following quantities:
 Quantity   
 Description  
hh450-3000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh450-3000 TEMPthe temperature at which you are operating=450.0
The CONVERT_TO_FES action with label ff450-3000 calculates the following quantities:
 Quantity   
 Description  
ff450-3000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights450-4000 calculates the following quantities:
 Quantity   
 Description  
weights450-4000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh450-4000 calculates the following quantities:
 Quantity   
 Description  
hh450-4000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh450-4000 TEMPthe temperature at which you are operating=450.0
The CONVERT_TO_FES action with label ff450-4000 calculates the following quantities:
 Quantity   
 Description  
ff450-4000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights450-5000 calculates the following quantities:
 Quantity   
 Description  
weights450-5000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh450-5000 calculates the following quantities:
 Quantity   
 Description  
hh450-5000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh450-5000 TEMPthe temperature at which you are operating=450.0
The CONVERT_TO_FES action with label ff450-5000 calculates the following quantities:
 Quantity   
 Description  
ff450-5000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights450-6000 calculates the following quantities:
 Quantity   
 Description  
weights450-6000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh450-6000 calculates the following quantities:
 Quantity   
 Description  
hh450-6000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh450-6000 TEMPthe temperature at which you are operating=450.0
The CONVERT_TO_FES action with label ff450-6000 calculates the following quantities:
 Quantity   
 Description  
ff450-6000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights450-7000 calculates the following quantities:
 Quantity   
 Description  
weights450-7000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh450-7000 calculates the following quantities:
 Quantity   
 Description  
hh450-7000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh450-7000 TEMPthe temperature at which you are operating=450.0
The CONVERT_TO_FES action with label ff450-7000 calculates the following quantities:
 Quantity   
 Description  
ff450-7000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights450-8000 calculates the following quantities:
 Quantity   
 Description  
weights450-8000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh450-8000 calculates the following quantities:
 Quantity   
 Description  
hh450-8000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh450-8000 TEMPthe temperature at which you are operating=450.0
The CONVERT_TO_FES action with label ff450-8000 calculates the following quantities:
 Quantity   
 Description  
ff450-8000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights450-9000 calculates the following quantities:
 Quantity   
 Description  
weights450-9000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh450-9000 calculates the following quantities:
 Quantity   
 Description  
hh450-9000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh450-9000 TEMPthe temperature at which you are operating=450.0
The CONVERT_TO_FES action with label ff450-9000 calculates the following quantities:
 Quantity   
 Description  
ff450-9000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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
The REWEIGHT_TEMP_PRESS action with label weights450-10000 calculates the following quantities:
 Quantity   
 Description  
weights450-10000.value
the weight to use for this frame to determine its contribution at a different temperature/pressureHISTOGRAMAccumulate 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

The HISTOGRAM action with label hh450-10000 calculates the following quantities:
 Quantity   
 Description  
hh450-10000.value
the estimate of the histogram as a function of the argument that was obtainedDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=hh450-10000 TEMPthe temperature at which you are operating=450.0
The CONVERT_TO_FES action with label ff450-10000 calculates the following quantities:
 Quantity   
 Description  
ff450-10000.value
the free energy surfaceDUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDYou should use ARG instead of this keyword which was used in older versions of PLUMED and is provided for back compatibility only=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 FMT the format that should be used to output real numbers=%16.10f