PLUMED-NEST

Project ID: plumID:19.075
Source: regtest/pycv/rt-3/plumed.dat
Originally used with PLUMED version: 2.5.2-mod
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

cv1:  
PYTHONCV
This action is not part of PLUMED and was included by using a LOAD command More details
 ATOMS=1,4 IMPORT=distcv FUNCTION=cv
cv2:  
PYTHONCV
This action is not part of PLUMED and was included by using a LOAD command More details
 ATOMS=1,3 IMPORT=distcv FUNCTION=cv

cv1a: 
DISTANCE
Calculate the distance between a pair of atoms. More details
 
ATOMS
the pair of atom that we are calculating the distance between
=1,4
The DISTANCE action with label cv1a calculates a scalar quantitycv2a: 
DISTANCE
Calculate the distance between a pair of atoms. More details
 
ATOMS
the pair of atom that we are calculating the distance between
=1,3


The DISTANCE action with label cv2a calculates a scalar quantity
PRINT
Print quantities to a file. More details
 
FILE
the name of the file on which to output these quantities
=colvar.out 
ARG
the input for this action is the scalar output from one or more other actions