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
tested onv2.9
tested onmaster
# vim:ft=plumed
Enables syntax highlighting for PLUMED files in vim. See here for more details.

energy:
READ
Read quantities from a colvar file. More details
FILE
the name of the file from which to read these quantities
=COLVARtrim
VALUES
the values to read from the file
=energy
IGNORE_TIME
ignore the time in the colvar file
b1:
READ
Read quantities from a colvar file. More details
FILE
the name of the file from which to read these quantities
=COLVARtrim
VALUES
the values to read from the file
=b1.bias
IGNORE_TIME
ignore the time in the colvar file
uwall:
READ
Read quantities from a colvar file. More details
FILE
the name of the file from which to read these quantities
=COLVARtrim
VALUES
the values to read from the file
=uwall.bias
IGNORE_TIME
ignore the time in the colvar file
refcv:
READ
Read quantities from a colvar file. More details
FILE
the name of the file from which to read these quantities
=COLVARtrim
VALUES
the values to read from the file
=refcv.morethan
IGNORE_TIME
ignore the time in the colvar file
voltmp:
READ
Read quantities from a colvar file. More details
FILE
the name of the file from which to read these quantities
=COLVARtrim
VALUES
the values to read from the file
=vol
IGNORE_TIME
ignore the time in the colvar file

vol:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
ARG
the input to this function
=voltmp
PARAMETERS
the parameters of the arguments in your function
=10.0
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO renergy:
COMBINE
Calculate a polynomial combination of a set of other variables. More details
ARG
the input to this function
=energy
PARAMETERS
the parameters of the arguments in your function
=-25000
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO weights:
REWEIGHT_BIAS
Calculate weights for ensemble averages that negate the effect the bias has on the region of phase space explored More details
TEMP
the system temperature
=400
ARG
the biases that must be taken into account when reweighting
=b1.bias,uwall.bias
weights350-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=350.0
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh350-0
FILE
the file on which to write the grid
=histo350-0
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff350-0:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh350-0
TEMP
the temperature at which you are operating
=350.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff350-0
FILE
the file on which to write the grid
=fes350-0
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-1000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=350.0
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh350-1000
FILE
the file on which to write the grid
=histo350-1000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff350-1000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh350-1000
TEMP
the temperature at which you are operating
=350.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff350-1000
FILE
the file on which to write the grid
=fes350-1000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-2000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=350.0
REWEIGHT_PRESSURE
Reweighting pressure
=120.44281714
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh350-2000
FILE
the file on which to write the grid
=histo350-2000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff350-2000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh350-2000
TEMP
the temperature at which you are operating
=350.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff350-2000
FILE
the file on which to write the grid
=fes350-2000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-3000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=350.0
REWEIGHT_PRESSURE
Reweighting pressure
=180.66422571
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh350-3000
FILE
the file on which to write the grid
=histo350-3000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff350-3000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh350-3000
TEMP
the temperature at which you are operating
=350.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff350-3000
FILE
the file on which to write the grid
=fes350-3000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-4000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=350.0
REWEIGHT_PRESSURE
Reweighting pressure
=240.88563428
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh350-4000
FILE
the file on which to write the grid
=histo350-4000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff350-4000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh350-4000
TEMP
the temperature at which you are operating
=350.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff350-4000
FILE
the file on which to write the grid
=fes350-4000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-5000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=350.0
REWEIGHT_PRESSURE
Reweighting pressure
=301.10704285
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh350-5000
FILE
the file on which to write the grid
=histo350-5000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff350-5000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh350-5000
TEMP
the temperature at which you are operating
=350.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff350-5000
FILE
the file on which to write the grid
=fes350-5000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-6000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=350.0
REWEIGHT_PRESSURE
Reweighting pressure
=361.32845142
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh350-6000
FILE
the file on which to write the grid
=histo350-6000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff350-6000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh350-6000
TEMP
the temperature at which you are operating
=350.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff350-6000
FILE
the file on which to write the grid
=fes350-6000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-7000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=350.0
REWEIGHT_PRESSURE
Reweighting pressure
=421.54985999
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh350-7000
FILE
the file on which to write the grid
=histo350-7000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff350-7000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh350-7000
TEMP
the temperature at which you are operating
=350.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff350-7000
FILE
the file on which to write the grid
=fes350-7000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-8000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=350.0
REWEIGHT_PRESSURE
Reweighting pressure
=481.77126856
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh350-8000
FILE
the file on which to write the grid
=histo350-8000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff350-8000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh350-8000
TEMP
the temperature at which you are operating
=350.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff350-8000
FILE
the file on which to write the grid
=fes350-8000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-9000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=350.0
REWEIGHT_PRESSURE
Reweighting pressure
=541.9926771300001
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh350-9000
FILE
the file on which to write the grid
=histo350-9000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff350-9000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh350-9000
TEMP
the temperature at which you are operating
=350.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff350-9000
FILE
the file on which to write the grid
=fes350-9000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights350-10000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=350.0
REWEIGHT_PRESSURE
Reweighting pressure
=602.2140857
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh350-10000
FILE
the file on which to write the grid
=histo350-10000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff350-10000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh350-10000
TEMP
the temperature at which you are operating
=350.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff350-10000
FILE
the file on which to write the grid
=fes350-10000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights360-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=360.0
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh360-0
FILE
the file on which to write the grid
=histo360-0
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff360-0:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh360-0
TEMP
the temperature at which you are operating
=360.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff360-0
FILE
the file on which to write the grid
=fes360-0
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights360-1000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=360.0
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh360-1000
FILE
the file on which to write the grid
=histo360-1000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff360-1000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh360-1000
TEMP
the temperature at which you are operating
=360.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff360-1000
FILE
the file on which to write the grid
=fes360-1000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights360-2000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=360.0
REWEIGHT_PRESSURE
Reweighting pressure
=120.44281714
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh360-2000
FILE
the file on which to write the grid
=histo360-2000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff360-2000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh360-2000
TEMP
the temperature at which you are operating
=360.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff360-2000
FILE
the file on which to write the grid
=fes360-2000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights360-3000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=360.0
REWEIGHT_PRESSURE
Reweighting pressure
=180.66422571
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh360-3000
FILE
the file on which to write the grid
=histo360-3000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff360-3000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh360-3000
TEMP
the temperature at which you are operating
=360.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff360-3000
FILE
the file on which to write the grid
=fes360-3000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights360-4000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=360.0
REWEIGHT_PRESSURE
Reweighting pressure
=240.88563428
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh360-4000
FILE
the file on which to write the grid
=histo360-4000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff360-4000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh360-4000
TEMP
the temperature at which you are operating
=360.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff360-4000
FILE
the file on which to write the grid
=fes360-4000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights360-5000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=360.0
REWEIGHT_PRESSURE
Reweighting pressure
=301.10704285
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh360-5000
FILE
the file on which to write the grid
=histo360-5000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff360-5000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh360-5000
TEMP
the temperature at which you are operating
=360.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff360-5000
FILE
the file on which to write the grid
=fes360-5000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights360-6000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=360.0
REWEIGHT_PRESSURE
Reweighting pressure
=361.32845142
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh360-6000
FILE
the file on which to write the grid
=histo360-6000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff360-6000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh360-6000
TEMP
the temperature at which you are operating
=360.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff360-6000
FILE
the file on which to write the grid
=fes360-6000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights360-7000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=360.0
REWEIGHT_PRESSURE
Reweighting pressure
=421.54985999
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh360-7000
FILE
the file on which to write the grid
=histo360-7000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff360-7000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh360-7000
TEMP
the temperature at which you are operating
=360.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff360-7000
FILE
the file on which to write the grid
=fes360-7000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights360-8000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=360.0
REWEIGHT_PRESSURE
Reweighting pressure
=481.77126856
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh360-8000
FILE
the file on which to write the grid
=histo360-8000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff360-8000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh360-8000
TEMP
the temperature at which you are operating
=360.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff360-8000
FILE
the file on which to write the grid
=fes360-8000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights360-9000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=360.0
REWEIGHT_PRESSURE
Reweighting pressure
=541.9926771300001
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh360-9000
FILE
the file on which to write the grid
=histo360-9000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff360-9000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh360-9000
TEMP
the temperature at which you are operating
=360.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff360-9000
FILE
the file on which to write the grid
=fes360-9000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights360-10000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=360.0
REWEIGHT_PRESSURE
Reweighting pressure
=602.2140857
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh360-10000
FILE
the file on which to write the grid
=histo360-10000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff360-10000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh360-10000
TEMP
the temperature at which you are operating
=360.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff360-10000
FILE
the file on which to write the grid
=fes360-10000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights370-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=370.0
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh370-0
FILE
the file on which to write the grid
=histo370-0
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff370-0:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh370-0
TEMP
the temperature at which you are operating
=370.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff370-0
FILE
the file on which to write the grid
=fes370-0
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights370-1000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=370.0
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh370-1000
FILE
the file on which to write the grid
=histo370-1000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff370-1000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh370-1000
TEMP
the temperature at which you are operating
=370.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff370-1000
FILE
the file on which to write the grid
=fes370-1000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights370-2000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=370.0
REWEIGHT_PRESSURE
Reweighting pressure
=120.44281714
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh370-2000
FILE
the file on which to write the grid
=histo370-2000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff370-2000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh370-2000
TEMP
the temperature at which you are operating
=370.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff370-2000
FILE
the file on which to write the grid
=fes370-2000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights370-3000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=370.0
REWEIGHT_PRESSURE
Reweighting pressure
=180.66422571
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh370-3000
FILE
the file on which to write the grid
=histo370-3000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff370-3000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh370-3000
TEMP
the temperature at which you are operating
=370.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff370-3000
FILE
the file on which to write the grid
=fes370-3000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights370-4000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=370.0
REWEIGHT_PRESSURE
Reweighting pressure
=240.88563428
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh370-4000
FILE
the file on which to write the grid
=histo370-4000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff370-4000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh370-4000
TEMP
the temperature at which you are operating
=370.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff370-4000
FILE
the file on which to write the grid
=fes370-4000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights370-5000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=370.0
REWEIGHT_PRESSURE
Reweighting pressure
=301.10704285
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh370-5000
FILE
the file on which to write the grid
=histo370-5000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff370-5000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh370-5000
TEMP
the temperature at which you are operating
=370.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff370-5000
FILE
the file on which to write the grid
=fes370-5000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights370-6000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=370.0
REWEIGHT_PRESSURE
Reweighting pressure
=361.32845142
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh370-6000
FILE
the file on which to write the grid
=histo370-6000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff370-6000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh370-6000
TEMP
the temperature at which you are operating
=370.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff370-6000
FILE
the file on which to write the grid
=fes370-6000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights370-7000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=370.0
REWEIGHT_PRESSURE
Reweighting pressure
=421.54985999
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh370-7000
FILE
the file on which to write the grid
=histo370-7000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff370-7000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh370-7000
TEMP
the temperature at which you are operating
=370.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff370-7000
FILE
the file on which to write the grid
=fes370-7000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights370-8000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=370.0
REWEIGHT_PRESSURE
Reweighting pressure
=481.77126856
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh370-8000
FILE
the file on which to write the grid
=histo370-8000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff370-8000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh370-8000
TEMP
the temperature at which you are operating
=370.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff370-8000
FILE
the file on which to write the grid
=fes370-8000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights370-9000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=370.0
REWEIGHT_PRESSURE
Reweighting pressure
=541.9926771300001
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh370-9000
FILE
the file on which to write the grid
=histo370-9000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff370-9000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh370-9000
TEMP
the temperature at which you are operating
=370.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff370-9000
FILE
the file on which to write the grid
=fes370-9000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights370-10000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=370.0
REWEIGHT_PRESSURE
Reweighting pressure
=602.2140857
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh370-10000
FILE
the file on which to write the grid
=histo370-10000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff370-10000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh370-10000
TEMP
the temperature at which you are operating
=370.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff370-10000
FILE
the file on which to write the grid
=fes370-10000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights380-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=380.0
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh380-0
FILE
the file on which to write the grid
=histo380-0
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff380-0:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh380-0
TEMP
the temperature at which you are operating
=380.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff380-0
FILE
the file on which to write the grid
=fes380-0
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights380-1000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=380.0
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh380-1000
FILE
the file on which to write the grid
=histo380-1000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff380-1000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh380-1000
TEMP
the temperature at which you are operating
=380.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff380-1000
FILE
the file on which to write the grid
=fes380-1000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights380-2000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=380.0
REWEIGHT_PRESSURE
Reweighting pressure
=120.44281714
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh380-2000
FILE
the file on which to write the grid
=histo380-2000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff380-2000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh380-2000
TEMP
the temperature at which you are operating
=380.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff380-2000
FILE
the file on which to write the grid
=fes380-2000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights380-3000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=380.0
REWEIGHT_PRESSURE
Reweighting pressure
=180.66422571
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh380-3000
FILE
the file on which to write the grid
=histo380-3000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff380-3000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh380-3000
TEMP
the temperature at which you are operating
=380.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff380-3000
FILE
the file on which to write the grid
=fes380-3000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights380-4000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=380.0
REWEIGHT_PRESSURE
Reweighting pressure
=240.88563428
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh380-4000
FILE
the file on which to write the grid
=histo380-4000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff380-4000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh380-4000
TEMP
the temperature at which you are operating
=380.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff380-4000
FILE
the file on which to write the grid
=fes380-4000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights380-5000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=380.0
REWEIGHT_PRESSURE
Reweighting pressure
=301.10704285
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh380-5000
FILE
the file on which to write the grid
=histo380-5000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff380-5000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh380-5000
TEMP
the temperature at which you are operating
=380.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff380-5000
FILE
the file on which to write the grid
=fes380-5000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights380-6000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=380.0
REWEIGHT_PRESSURE
Reweighting pressure
=361.32845142
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh380-6000
FILE
the file on which to write the grid
=histo380-6000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff380-6000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh380-6000
TEMP
the temperature at which you are operating
=380.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff380-6000
FILE
the file on which to write the grid
=fes380-6000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights380-7000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=380.0
REWEIGHT_PRESSURE
Reweighting pressure
=421.54985999
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh380-7000
FILE
the file on which to write the grid
=histo380-7000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff380-7000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh380-7000
TEMP
the temperature at which you are operating
=380.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff380-7000
FILE
the file on which to write the grid
=fes380-7000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights380-8000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=380.0
REWEIGHT_PRESSURE
Reweighting pressure
=481.77126856
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh380-8000
FILE
the file on which to write the grid
=histo380-8000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff380-8000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh380-8000
TEMP
the temperature at which you are operating
=380.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff380-8000
FILE
the file on which to write the grid
=fes380-8000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights380-9000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=380.0
REWEIGHT_PRESSURE
Reweighting pressure
=541.9926771300001
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh380-9000
FILE
the file on which to write the grid
=histo380-9000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff380-9000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh380-9000
TEMP
the temperature at which you are operating
=380.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff380-9000
FILE
the file on which to write the grid
=fes380-9000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights380-10000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=380.0
REWEIGHT_PRESSURE
Reweighting pressure
=602.2140857
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh380-10000
FILE
the file on which to write the grid
=histo380-10000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff380-10000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh380-10000
TEMP
the temperature at which you are operating
=380.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff380-10000
FILE
the file on which to write the grid
=fes380-10000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights390-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=390.0
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh390-0
FILE
the file on which to write the grid
=histo390-0
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff390-0:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh390-0
TEMP
the temperature at which you are operating
=390.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff390-0
FILE
the file on which to write the grid
=fes390-0
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights390-1000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=390.0
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh390-1000
FILE
the file on which to write the grid
=histo390-1000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff390-1000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh390-1000
TEMP
the temperature at which you are operating
=390.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff390-1000
FILE
the file on which to write the grid
=fes390-1000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights390-2000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=390.0
REWEIGHT_PRESSURE
Reweighting pressure
=120.44281714
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh390-2000
FILE
the file on which to write the grid
=histo390-2000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff390-2000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh390-2000
TEMP
the temperature at which you are operating
=390.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff390-2000
FILE
the file on which to write the grid
=fes390-2000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights390-3000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=390.0
REWEIGHT_PRESSURE
Reweighting pressure
=180.66422571
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh390-3000
FILE
the file on which to write the grid
=histo390-3000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff390-3000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh390-3000
TEMP
the temperature at which you are operating
=390.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff390-3000
FILE
the file on which to write the grid
=fes390-3000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights390-4000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=390.0
REWEIGHT_PRESSURE
Reweighting pressure
=240.88563428
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh390-4000
FILE
the file on which to write the grid
=histo390-4000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff390-4000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh390-4000
TEMP
the temperature at which you are operating
=390.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff390-4000
FILE
the file on which to write the grid
=fes390-4000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights390-5000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=390.0
REWEIGHT_PRESSURE
Reweighting pressure
=301.10704285
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh390-5000
FILE
the file on which to write the grid
=histo390-5000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff390-5000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh390-5000
TEMP
the temperature at which you are operating
=390.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff390-5000
FILE
the file on which to write the grid
=fes390-5000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights390-6000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=390.0
REWEIGHT_PRESSURE
Reweighting pressure
=361.32845142
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh390-6000
FILE
the file on which to write the grid
=histo390-6000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff390-6000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh390-6000
TEMP
the temperature at which you are operating
=390.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff390-6000
FILE
the file on which to write the grid
=fes390-6000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights390-7000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=390.0
REWEIGHT_PRESSURE
Reweighting pressure
=421.54985999
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh390-7000
FILE
the file on which to write the grid
=histo390-7000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff390-7000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh390-7000
TEMP
the temperature at which you are operating
=390.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff390-7000
FILE
the file on which to write the grid
=fes390-7000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights390-8000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=390.0
REWEIGHT_PRESSURE
Reweighting pressure
=481.77126856
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh390-8000
FILE
the file on which to write the grid
=histo390-8000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff390-8000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh390-8000
TEMP
the temperature at which you are operating
=390.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff390-8000
FILE
the file on which to write the grid
=fes390-8000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights390-9000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=390.0
REWEIGHT_PRESSURE
Reweighting pressure
=541.9926771300001
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh390-9000
FILE
the file on which to write the grid
=histo390-9000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff390-9000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh390-9000
TEMP
the temperature at which you are operating
=390.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff390-9000
FILE
the file on which to write the grid
=fes390-9000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights390-10000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=390.0
REWEIGHT_PRESSURE
Reweighting pressure
=602.2140857
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh390-10000
FILE
the file on which to write the grid
=histo390-10000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff390-10000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh390-10000
TEMP
the temperature at which you are operating
=390.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff390-10000
FILE
the file on which to write the grid
=fes390-10000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights400-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=400.0
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh400-0
FILE
the file on which to write the grid
=histo400-0
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff400-0:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh400-0
TEMP
the temperature at which you are operating
=400.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff400-0
FILE
the file on which to write the grid
=fes400-0
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights400-1000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=400.0
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh400-1000
FILE
the file on which to write the grid
=histo400-1000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff400-1000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh400-1000
TEMP
the temperature at which you are operating
=400.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff400-1000
FILE
the file on which to write the grid
=fes400-1000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights400-2000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=400.0
REWEIGHT_PRESSURE
Reweighting pressure
=120.44281714
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh400-2000
FILE
the file on which to write the grid
=histo400-2000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff400-2000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh400-2000
TEMP
the temperature at which you are operating
=400.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff400-2000
FILE
the file on which to write the grid
=fes400-2000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights400-3000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=400.0
REWEIGHT_PRESSURE
Reweighting pressure
=180.66422571
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh400-3000
FILE
the file on which to write the grid
=histo400-3000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff400-3000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh400-3000
TEMP
the temperature at which you are operating
=400.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff400-3000
FILE
the file on which to write the grid
=fes400-3000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights400-4000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=400.0
REWEIGHT_PRESSURE
Reweighting pressure
=240.88563428
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh400-4000
FILE
the file on which to write the grid
=histo400-4000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff400-4000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh400-4000
TEMP
the temperature at which you are operating
=400.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff400-4000
FILE
the file on which to write the grid
=fes400-4000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights400-5000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=400.0
REWEIGHT_PRESSURE
Reweighting pressure
=301.10704285
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh400-5000
FILE
the file on which to write the grid
=histo400-5000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff400-5000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh400-5000
TEMP
the temperature at which you are operating
=400.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff400-5000
FILE
the file on which to write the grid
=fes400-5000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights400-6000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=400.0
REWEIGHT_PRESSURE
Reweighting pressure
=361.32845142
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh400-6000
FILE
the file on which to write the grid
=histo400-6000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff400-6000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh400-6000
TEMP
the temperature at which you are operating
=400.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff400-6000
FILE
the file on which to write the grid
=fes400-6000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights400-7000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=400.0
REWEIGHT_PRESSURE
Reweighting pressure
=421.54985999
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh400-7000
FILE
the file on which to write the grid
=histo400-7000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff400-7000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh400-7000
TEMP
the temperature at which you are operating
=400.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff400-7000
FILE
the file on which to write the grid
=fes400-7000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights400-8000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=400.0
REWEIGHT_PRESSURE
Reweighting pressure
=481.77126856
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh400-8000
FILE
the file on which to write the grid
=histo400-8000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff400-8000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh400-8000
TEMP
the temperature at which you are operating
=400.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff400-8000
FILE
the file on which to write the grid
=fes400-8000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights400-9000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=400.0
REWEIGHT_PRESSURE
Reweighting pressure
=541.9926771300001
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh400-9000
FILE
the file on which to write the grid
=histo400-9000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff400-9000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh400-9000
TEMP
the temperature at which you are operating
=400.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff400-9000
FILE
the file on which to write the grid
=fes400-9000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights400-10000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=400.0
REWEIGHT_PRESSURE
Reweighting pressure
=602.2140857
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh400-10000
FILE
the file on which to write the grid
=histo400-10000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff400-10000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh400-10000
TEMP
the temperature at which you are operating
=400.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff400-10000
FILE
the file on which to write the grid
=fes400-10000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights410-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=410.0
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh410-0
FILE
the file on which to write the grid
=histo410-0
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff410-0:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh410-0
TEMP
the temperature at which you are operating
=410.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff410-0
FILE
the file on which to write the grid
=fes410-0
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights410-1000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=410.0
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh410-1000
FILE
the file on which to write the grid
=histo410-1000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff410-1000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh410-1000
TEMP
the temperature at which you are operating
=410.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff410-1000
FILE
the file on which to write the grid
=fes410-1000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights410-2000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=410.0
REWEIGHT_PRESSURE
Reweighting pressure
=120.44281714
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh410-2000
FILE
the file on which to write the grid
=histo410-2000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff410-2000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh410-2000
TEMP
the temperature at which you are operating
=410.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff410-2000
FILE
the file on which to write the grid
=fes410-2000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights410-3000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=410.0
REWEIGHT_PRESSURE
Reweighting pressure
=180.66422571
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh410-3000
FILE
the file on which to write the grid
=histo410-3000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff410-3000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh410-3000
TEMP
the temperature at which you are operating
=410.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff410-3000
FILE
the file on which to write the grid
=fes410-3000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights410-4000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=410.0
REWEIGHT_PRESSURE
Reweighting pressure
=240.88563428
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh410-4000
FILE
the file on which to write the grid
=histo410-4000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff410-4000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh410-4000
TEMP
the temperature at which you are operating
=410.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff410-4000
FILE
the file on which to write the grid
=fes410-4000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights410-5000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=410.0
REWEIGHT_PRESSURE
Reweighting pressure
=301.10704285
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh410-5000
FILE
the file on which to write the grid
=histo410-5000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff410-5000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh410-5000
TEMP
the temperature at which you are operating
=410.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff410-5000
FILE
the file on which to write the grid
=fes410-5000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights410-6000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=410.0
REWEIGHT_PRESSURE
Reweighting pressure
=361.32845142
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh410-6000
FILE
the file on which to write the grid
=histo410-6000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff410-6000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh410-6000
TEMP
the temperature at which you are operating
=410.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff410-6000
FILE
the file on which to write the grid
=fes410-6000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights410-7000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=410.0
REWEIGHT_PRESSURE
Reweighting pressure
=421.54985999
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh410-7000
FILE
the file on which to write the grid
=histo410-7000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff410-7000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh410-7000
TEMP
the temperature at which you are operating
=410.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff410-7000
FILE
the file on which to write the grid
=fes410-7000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights410-8000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=410.0
REWEIGHT_PRESSURE
Reweighting pressure
=481.77126856
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh410-8000
FILE
the file on which to write the grid
=histo410-8000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff410-8000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh410-8000
TEMP
the temperature at which you are operating
=410.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff410-8000
FILE
the file on which to write the grid
=fes410-8000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights410-9000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=410.0
REWEIGHT_PRESSURE
Reweighting pressure
=541.9926771300001
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh410-9000
FILE
the file on which to write the grid
=histo410-9000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff410-9000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh410-9000
TEMP
the temperature at which you are operating
=410.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff410-9000
FILE
the file on which to write the grid
=fes410-9000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights410-10000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=410.0
REWEIGHT_PRESSURE
Reweighting pressure
=602.2140857
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh410-10000
FILE
the file on which to write the grid
=histo410-10000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff410-10000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh410-10000
TEMP
the temperature at which you are operating
=410.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff410-10000
FILE
the file on which to write the grid
=fes410-10000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights420-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=420.0
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh420-0
FILE
the file on which to write the grid
=histo420-0
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff420-0:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh420-0
TEMP
the temperature at which you are operating
=420.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff420-0
FILE
the file on which to write the grid
=fes420-0
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights420-1000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=420.0
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh420-1000
FILE
the file on which to write the grid
=histo420-1000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff420-1000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh420-1000
TEMP
the temperature at which you are operating
=420.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff420-1000
FILE
the file on which to write the grid
=fes420-1000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights420-2000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=420.0
REWEIGHT_PRESSURE
Reweighting pressure
=120.44281714
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh420-2000
FILE
the file on which to write the grid
=histo420-2000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff420-2000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh420-2000
TEMP
the temperature at which you are operating
=420.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff420-2000
FILE
the file on which to write the grid
=fes420-2000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights420-3000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=420.0
REWEIGHT_PRESSURE
Reweighting pressure
=180.66422571
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh420-3000
FILE
the file on which to write the grid
=histo420-3000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff420-3000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh420-3000
TEMP
the temperature at which you are operating
=420.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff420-3000
FILE
the file on which to write the grid
=fes420-3000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights420-4000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=420.0
REWEIGHT_PRESSURE
Reweighting pressure
=240.88563428
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh420-4000
FILE
the file on which to write the grid
=histo420-4000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff420-4000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh420-4000
TEMP
the temperature at which you are operating
=420.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff420-4000
FILE
the file on which to write the grid
=fes420-4000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights420-5000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=420.0
REWEIGHT_PRESSURE
Reweighting pressure
=301.10704285
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh420-5000
FILE
the file on which to write the grid
=histo420-5000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff420-5000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh420-5000
TEMP
the temperature at which you are operating
=420.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff420-5000
FILE
the file on which to write the grid
=fes420-5000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights420-6000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=420.0
REWEIGHT_PRESSURE
Reweighting pressure
=361.32845142
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh420-6000
FILE
the file on which to write the grid
=histo420-6000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff420-6000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh420-6000
TEMP
the temperature at which you are operating
=420.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff420-6000
FILE
the file on which to write the grid
=fes420-6000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights420-7000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=420.0
REWEIGHT_PRESSURE
Reweighting pressure
=421.54985999
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh420-7000
FILE
the file on which to write the grid
=histo420-7000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff420-7000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh420-7000
TEMP
the temperature at which you are operating
=420.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff420-7000
FILE
the file on which to write the grid
=fes420-7000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights420-8000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=420.0
REWEIGHT_PRESSURE
Reweighting pressure
=481.77126856
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh420-8000
FILE
the file on which to write the grid
=histo420-8000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff420-8000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh420-8000
TEMP
the temperature at which you are operating
=420.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff420-8000
FILE
the file on which to write the grid
=fes420-8000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights420-9000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=420.0
REWEIGHT_PRESSURE
Reweighting pressure
=541.9926771300001
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh420-9000
FILE
the file on which to write the grid
=histo420-9000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff420-9000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh420-9000
TEMP
the temperature at which you are operating
=420.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff420-9000
FILE
the file on which to write the grid
=fes420-9000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights420-10000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=420.0
REWEIGHT_PRESSURE
Reweighting pressure
=602.2140857
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh420-10000
FILE
the file on which to write the grid
=histo420-10000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff420-10000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh420-10000
TEMP
the temperature at which you are operating
=420.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff420-10000
FILE
the file on which to write the grid
=fes420-10000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights430-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=430.0
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh430-0
FILE
the file on which to write the grid
=histo430-0
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff430-0:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh430-0
TEMP
the temperature at which you are operating
=430.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff430-0
FILE
the file on which to write the grid
=fes430-0
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights430-1000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=430.0
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh430-1000
FILE
the file on which to write the grid
=histo430-1000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff430-1000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh430-1000
TEMP
the temperature at which you are operating
=430.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff430-1000
FILE
the file on which to write the grid
=fes430-1000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights430-2000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=430.0
REWEIGHT_PRESSURE
Reweighting pressure
=120.44281714
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh430-2000
FILE
the file on which to write the grid
=histo430-2000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff430-2000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh430-2000
TEMP
the temperature at which you are operating
=430.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff430-2000
FILE
the file on which to write the grid
=fes430-2000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights430-3000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=430.0
REWEIGHT_PRESSURE
Reweighting pressure
=180.66422571
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh430-3000
FILE
the file on which to write the grid
=histo430-3000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff430-3000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh430-3000
TEMP
the temperature at which you are operating
=430.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff430-3000
FILE
the file on which to write the grid
=fes430-3000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights430-4000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=430.0
REWEIGHT_PRESSURE
Reweighting pressure
=240.88563428
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh430-4000
FILE
the file on which to write the grid
=histo430-4000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff430-4000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh430-4000
TEMP
the temperature at which you are operating
=430.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff430-4000
FILE
the file on which to write the grid
=fes430-4000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights430-5000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=430.0
REWEIGHT_PRESSURE
Reweighting pressure
=301.10704285
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh430-5000
FILE
the file on which to write the grid
=histo430-5000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff430-5000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh430-5000
TEMP
the temperature at which you are operating
=430.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff430-5000
FILE
the file on which to write the grid
=fes430-5000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights430-6000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=430.0
REWEIGHT_PRESSURE
Reweighting pressure
=361.32845142
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh430-6000
FILE
the file on which to write the grid
=histo430-6000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff430-6000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh430-6000
TEMP
the temperature at which you are operating
=430.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff430-6000
FILE
the file on which to write the grid
=fes430-6000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights430-7000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=430.0
REWEIGHT_PRESSURE
Reweighting pressure
=421.54985999
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh430-7000
FILE
the file on which to write the grid
=histo430-7000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff430-7000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh430-7000
TEMP
the temperature at which you are operating
=430.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff430-7000
FILE
the file on which to write the grid
=fes430-7000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights430-8000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=430.0
REWEIGHT_PRESSURE
Reweighting pressure
=481.77126856
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh430-8000
FILE
the file on which to write the grid
=histo430-8000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff430-8000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh430-8000
TEMP
the temperature at which you are operating
=430.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff430-8000
FILE
the file on which to write the grid
=fes430-8000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights430-9000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=430.0
REWEIGHT_PRESSURE
Reweighting pressure
=541.9926771300001
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh430-9000
FILE
the file on which to write the grid
=histo430-9000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff430-9000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh430-9000
TEMP
the temperature at which you are operating
=430.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff430-9000
FILE
the file on which to write the grid
=fes430-9000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights430-10000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=430.0
REWEIGHT_PRESSURE
Reweighting pressure
=602.2140857
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh430-10000
FILE
the file on which to write the grid
=histo430-10000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff430-10000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh430-10000
TEMP
the temperature at which you are operating
=430.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff430-10000
FILE
the file on which to write the grid
=fes430-10000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights440-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=440.0
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh440-0
FILE
the file on which to write the grid
=histo440-0
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff440-0:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh440-0
TEMP
the temperature at which you are operating
=440.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff440-0
FILE
the file on which to write the grid
=fes440-0
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights440-1000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=440.0
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh440-1000
FILE
the file on which to write the grid
=histo440-1000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff440-1000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh440-1000
TEMP
the temperature at which you are operating
=440.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff440-1000
FILE
the file on which to write the grid
=fes440-1000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights440-2000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=440.0
REWEIGHT_PRESSURE
Reweighting pressure
=120.44281714
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh440-2000
FILE
the file on which to write the grid
=histo440-2000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff440-2000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh440-2000
TEMP
the temperature at which you are operating
=440.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff440-2000
FILE
the file on which to write the grid
=fes440-2000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights440-3000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=440.0
REWEIGHT_PRESSURE
Reweighting pressure
=180.66422571
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh440-3000
FILE
the file on which to write the grid
=histo440-3000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff440-3000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh440-3000
TEMP
the temperature at which you are operating
=440.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff440-3000
FILE
the file on which to write the grid
=fes440-3000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights440-4000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=440.0
REWEIGHT_PRESSURE
Reweighting pressure
=240.88563428
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh440-4000
FILE
the file on which to write the grid
=histo440-4000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff440-4000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh440-4000
TEMP
the temperature at which you are operating
=440.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff440-4000
FILE
the file on which to write the grid
=fes440-4000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights440-5000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=440.0
REWEIGHT_PRESSURE
Reweighting pressure
=301.10704285
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh440-5000
FILE
the file on which to write the grid
=histo440-5000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff440-5000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh440-5000
TEMP
the temperature at which you are operating
=440.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff440-5000
FILE
the file on which to write the grid
=fes440-5000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights440-6000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=440.0
REWEIGHT_PRESSURE
Reweighting pressure
=361.32845142
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh440-6000
FILE
the file on which to write the grid
=histo440-6000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff440-6000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh440-6000
TEMP
the temperature at which you are operating
=440.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff440-6000
FILE
the file on which to write the grid
=fes440-6000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights440-7000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=440.0
REWEIGHT_PRESSURE
Reweighting pressure
=421.54985999
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh440-7000
FILE
the file on which to write the grid
=histo440-7000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff440-7000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh440-7000
TEMP
the temperature at which you are operating
=440.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff440-7000
FILE
the file on which to write the grid
=fes440-7000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights440-8000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=440.0
REWEIGHT_PRESSURE
Reweighting pressure
=481.77126856
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh440-8000
FILE
the file on which to write the grid
=histo440-8000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff440-8000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh440-8000
TEMP
the temperature at which you are operating
=440.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff440-8000
FILE
the file on which to write the grid
=fes440-8000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights440-9000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=440.0
REWEIGHT_PRESSURE
Reweighting pressure
=541.9926771300001
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh440-9000
FILE
the file on which to write the grid
=histo440-9000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff440-9000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh440-9000
TEMP
the temperature at which you are operating
=440.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff440-9000
FILE
the file on which to write the grid
=fes440-9000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights440-10000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=440.0
REWEIGHT_PRESSURE
Reweighting pressure
=602.2140857
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh440-10000
FILE
the file on which to write the grid
=histo440-10000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff440-10000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh440-10000
TEMP
the temperature at which you are operating
=440.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff440-10000
FILE
the file on which to write the grid
=fes440-10000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights450-0:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=450.0
REWEIGHT_PRESSURE
Reweighting pressure
=0.0
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh450-0
FILE
the file on which to write the grid
=histo450-0
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff450-0:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh450-0
TEMP
the temperature at which you are operating
=450.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff450-0
FILE
the file on which to write the grid
=fes450-0
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights450-1000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=450.0
REWEIGHT_PRESSURE
Reweighting pressure
=60.22140857
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh450-1000
FILE
the file on which to write the grid
=histo450-1000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff450-1000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh450-1000
TEMP
the temperature at which you are operating
=450.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff450-1000
FILE
the file on which to write the grid
=fes450-1000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights450-2000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=450.0
REWEIGHT_PRESSURE
Reweighting pressure
=120.44281714
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh450-2000
FILE
the file on which to write the grid
=histo450-2000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff450-2000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh450-2000
TEMP
the temperature at which you are operating
=450.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff450-2000
FILE
the file on which to write the grid
=fes450-2000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights450-3000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=450.0
REWEIGHT_PRESSURE
Reweighting pressure
=180.66422571
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh450-3000
FILE
the file on which to write the grid
=histo450-3000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff450-3000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh450-3000
TEMP
the temperature at which you are operating
=450.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff450-3000
FILE
the file on which to write the grid
=fes450-3000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights450-4000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=450.0
REWEIGHT_PRESSURE
Reweighting pressure
=240.88563428
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh450-4000
FILE
the file on which to write the grid
=histo450-4000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff450-4000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh450-4000
TEMP
the temperature at which you are operating
=450.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff450-4000
FILE
the file on which to write the grid
=fes450-4000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights450-5000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=450.0
REWEIGHT_PRESSURE
Reweighting pressure
=301.10704285
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh450-5000
FILE
the file on which to write the grid
=histo450-5000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff450-5000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh450-5000
TEMP
the temperature at which you are operating
=450.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff450-5000
FILE
the file on which to write the grid
=fes450-5000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights450-6000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=450.0
REWEIGHT_PRESSURE
Reweighting pressure
=361.32845142
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh450-6000
FILE
the file on which to write the grid
=histo450-6000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff450-6000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh450-6000
TEMP
the temperature at which you are operating
=450.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff450-6000
FILE
the file on which to write the grid
=fes450-6000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights450-7000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=450.0
REWEIGHT_PRESSURE
Reweighting pressure
=421.54985999
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh450-7000
FILE
the file on which to write the grid
=histo450-7000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff450-7000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh450-7000
TEMP
the temperature at which you are operating
=450.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff450-7000
FILE
the file on which to write the grid
=fes450-7000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights450-8000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=450.0
REWEIGHT_PRESSURE
Reweighting pressure
=481.77126856
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh450-8000
FILE
the file on which to write the grid
=histo450-8000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff450-8000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh450-8000
TEMP
the temperature at which you are operating
=450.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff450-8000
FILE
the file on which to write the grid
=fes450-8000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights450-9000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=450.0
REWEIGHT_PRESSURE
Reweighting pressure
=541.9926771300001
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh450-9000
FILE
the file on which to write the grid
=histo450-9000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff450-9000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh450-9000
TEMP
the temperature at which you are operating
=450.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff450-9000
FILE
the file on which to write the grid
=fes450-9000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
weights450-10000:
REWEIGHT_TEMP_PRESS
Calculate weights for ensemble averages at temperatures and/or pressures different than those used in your original simulation. More details
TEMP
the system temperature
=400
PRESSURE
The system pressure
=301.10704285
REWEIGHT_TEMP
Reweighting temperature
=450.0
REWEIGHT_PRESSURE
Reweighting pressure
=602.2140857
ENERGY
Energy
=renergy
VOLUME
Volume
=vol
HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the quantity that is being averaged
=refcv.morethan
GRID_MIN
the lower bounds for the grid
=-0.5
GRID_MAX
the upper bounds for the grid
=250.5
GRID_BIN
the number of bins for the grid
=1000
BANDWIDTH
the bandwidths for kernel density esimtation
=1
LOGWEIGHTS
the 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
LABEL
a 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
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=hh450-10000
FILE
the file on which to write the grid
=histo450-10000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f ff450-10000:
CONVERT_TO_FES
Convert a histogram to a free energy surface. More details
GRID
the histogram that you would like to convert into a free energy surface (old syntax)
=hh450-10000
TEMP
the temperature at which you are operating
=450.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the grid you would like to print (can also use ARG for specifying what is being printed)
=ff450-10000
FILE
the file on which to write the grid
=fes450-10000
STRIDE
the frequency with which the grid should be output to the file
=10000
FMT
the format that should be used to output real numbers
=%16.10f
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
FILE
the name of the file on which to output these quantities
=COLVAR
STRIDE
the frequency with which the quantities of interest should be output
=1
FMT
the format that should be used to output real numbers
=%16.10f