Project ID: plumID:23.001
Source: EnhancedCoexistence/Liq-V/3-BiasedCoexistence/COEX_5000.0atm/245.0K/plumed.start.dat
Originally used with PLUMED version: 2.8
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.

INCLUDE
Includes an external input file, similar to #include in C preprocessor. More details. Show included file
FILE
file to be included
=plumed.order.dat


# Target uniform distribution of the order parameter between 336 and 392 molecules # i.e. between 6 and 7 layers, each of 56 molecules umb1:
ECV_UMBRELLAS_LINE
Target a multiumbrella ensemble, by combining systems each with a parabolic bias potential at a different location. More details
ARG
the input for this action is the scalar output from one or more other actions
=refcv.morethan-1
TEMP
temperature
=245.0
CV_MIN
the minimum of the CV range to be explored
=336.0
CV_MAX
the maximum of the CV range to be explored
=392.0
SIGMA
sigma of the umbrella Gaussians
=1
BARRIER
a guess of the free energy barrier to be overcome (better to stay higher than lower)
=50 opes:
OPES_EXPANDED
On-the-fly probability enhanced sampling with expanded ensembles for the target distribution. More details
ARG
the label of the ECVs that define the expansion
=umb1
PACE
how often the bias is updated
=2000
STRIDE
the frequency with which the forces due to the bias should be calculated
=1
WALKERS_MPI
switch on MPI version of multiple walkers

PRINT
Print quantities to a file. More details
STRIDE
the frequency with which the quantities of interest should be output
=500
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