Project ID: plumID:19.017
Source: plumed_reweight/reweight_rho_c.dat
Originally used with PLUMED version: 2.5
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
rho: 
READ
Read quantities from a colvar file. More details
FILE
the name of the file from which to read these quantities
=../input/rtp_coord.dat
VALUES
the values to read from the file
=rho
IGNORE_FORCES
use this flag if the forces added by any bias can be safely ignored
IGNORE_TIME
ignore the time in the colvar file
c:
READ
Read quantities from a colvar file. More details
FILE
the name of the file from which to read these quantities
=../input/all_coordination_45.dat
VALUES
the values to read from the file
=c
IGNORE_FORCES
use this flag if the forces added by any bias can be safely ignored
IGNORE_TIME
ignore the time in the colvar file
metad:
READ
Read quantities from a colvar file. More details
FILE
the name of the file from which to read these quantities
=../input/metad_data.dat
VALUES
the values to read from the file
=metad
IGNORE_FORCES
use this flag if the forces added by any bias can be safely ignored
IGNORE_TIME
ignore the time in the colvar file

weights:
REWEIGHT_METAD
Calculate the weights configurations should contribute to the histogram in a simulation in which a metadynamics bias acts upon the system. More details
TEMP
the system temperature
=300
ARG
the biases that must be taken into account when reweighting
=metad.rbias
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
=rho,c
GRID_MIN
the lower bounds for the grid
=0.,0
GRID_MAX
the upper bounds for the grid
=3.0,160
GRID_BIN
the number of bins for the grid
=100,100
KERNEL
the kernel function you are using
=DISCRETE
LOGWEIGHTS
list of actions that calculates log weights that should be used to weight configurations when calculating averages
=weights
LABEL
a label for the action so that its output can be referenced in the input to other actions
=hD ... HISTOGRAM
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
=hD
TEMP
the temperature at which you are operating
=300
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
=rew_fes_rhoc.dat
STRIDE
the frequency with which the grid should be output to the file
=5000
ENDPLUMED
Terminate plumed input. More details