Project ID: plumID:19.027
Source: MulticanonicalSimulations/Multicanonical/Analysis/SampledDistribution/plumed.dat
Originally used with PLUMED version: 2.4-dev
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr

Click on the labels of the actions for more information on what each action computes
tested onv2.8
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

HISTOGRAM
Accumulate the average probability density along a few CVs from a trajectory. More details
...
ARG
the input for this action is the scalar output from one or more other actions
=energy
GRID_MIN
the lower bounds for the grid
=-25000
GRID_MAX
the upper bounds for the grid
=-23500
GRID_BIN
the number of bins for the grid
=1000 #KERNEL=DISCRETE
BANDWIDTH
the bandwidths for kernel density estimation
=25 #LOGWEIGHTS=weightsMetad,weights300
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
=hh ... HISTOGRAM
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the action that creates the grid you would like to output
=hh
FILE
the file on which to write the grid
=histoEne
STRIDE
the frequency with which the grid should be output to the file
=5000
FMT
the format that should be used to output real numbers
=%15.10f ff:
CONVERT_TO_FES
Convert a histogram, H(x), to a free energy surface using F(x) = -k_B T ln H(x). More details
GRID
the action that creates the input grid you would like to use
=hh
TEMP
the temperature at which you are operating
=500.0
DUMPGRID
Output the function on the grid to a file with the PLUMED grid format. More details
GRID
the action that creates the grid you would like to output
=ff
FILE
the file on which to write the grid
=fesEne
STRIDE
the frequency with which the grid should be output to the file
=5000
FMT
the format that should be used to output real numbers
=%15.10f
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