Project ID: plumID:22.025
Source: p0.026/t0.8580-smd/plumed1.inp
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
UNITS
This command sets the internal units for the code. More details
NATURAL
use natural units

VOLUME
Calculate the volume of the simulation box. More details
LABEL
a label for the action so that its output can be referenced in the input to other actions
=vol
CUSTOM
Calculate a combination of variables using a custom expression. More details
ARG
the input to this function
=vol
FUNC
the function you wish to evaluate
=x/17576
PERIODIC
if the output of your function is periodic then you should specify the periodicity of the function
=NO
LABEL
a label for the action so that its output can be referenced in the input to other actions
=molvol
RESTRAINT
Adds harmonic and/or linear restraints on one or more variables. More details
ARG
the arguments on which the bias is acting
=molvol
AT
the position of the restraint
=1.7
KAPPA
specifies that the restraint is harmonic and what the values of the force constants on each of the variables are
=1e5
LABEL
a label for the action so that its output can be referenced in the input to other actions
=res
FLUSH
This command instructs plumed to flush all the open files with a user specified frequency. More details
STRIDE
the frequency with which all the open files should be flushed
=2000
PRINT
Print quantities to a file. More details
ARG
the input for this action is the scalar output from one or more other actions
=molvol
STRIDE
the frequency with which the quantities of interest should be output
=20
FILE
the name of the file on which to output these quantities
=colvar