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

LOADLoads a library, possibly defining new actions. More details FILEfile to be loaded=Graph.cpp

# Define groups for the CV
The LOAD action with label  calculates somethingC: GROUPDefine 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 ATOMSthe numerical indexes for the set of atoms in the group=1-285
 
# Define the CV
The GROUP action with label C calculates somethingGRAPHThis 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


PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=model.* STRIDE the frequency with which the quantities of interest should be output=1 FILEthe name of the file on which to output these quantities=COLVAR