PLUMED-NEST

Project ID: plumID:24.004
Source: iron/post-process/plumed.dat
Originally used with PLUMED version: 2.8.1
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

LOAD
Loads a library, possibly defining new actions. More details
 
FILE
file to be loaded
=Graph.cpp

# Define groups for the CV
The LOAD action with label  calculates somethingC: 
GROUP
Define a group of atoms so that a particular list of atoms can be referenced with a single label in definitions of CVs or virtual atoms. More details
 
ATOMS
the numerical indexes for the set of atoms in the group
=1-285
 
# Define the CV
The GROUP action with label C calculates something
GRAPH
This action is not part of PLUMED and was included by using a LOAD command More details
 ...
 LABEL=model
 ATOMS=C
 KCUT=50
 MODEL=model-local.pt
... GRAPH


PRINT
Print quantities to a file. More details
 
ARG
the input for this action is the scalar output from one or more other actions
=model 
STRIDE
 the frequency with which the quantities of interest should be output
=1 
FILE
the name of the file on which to output these quantities
=COLVAR