Project ID: plumID:22.025
Source: p0.026/t0.8580-smd/plumed2.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 onv2.10
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 values 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
MOVINGRESTRAINT
Add a time-dependent, harmonic restraint on one or more variables. This action has hidden defaults. More details
...
ARG
the labels of the scalars on which the bias will act
=molvol
STEP0
This keyword appears multiple times as STEPx with x=0,1,2,
=0
AT0
ATx is equal to the position of the restraint at time STEPx
=1.7
KAPPA0
KAPPAx is equal to the value of the force constants at time STEPx
=1e5
STEP1
This keyword appears multiple times as STEPx with x=0,1,2,
=2000000
AT1
ATx is equal to the position of the restraint at time STEPx
=2.2
KAPPA1
KAPPAx is equal to the value of the force constants at time STEPx
=1e5
LABEL
a label for the action so that its output can be referenced in the input to other actions
=res ... MOVINGRESTRAINT

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 labels of the values that you would like to print to the file
=molvol,res.work
STRIDE
the frequency with which the quantities of interest should be output
=200
FILE
the name of the file on which to output these quantities
=colvar