PLUMED-NEST

Project ID: plumID:23.007
Source: plumed-nest/nrpe4/imp.dat
Originally used with PLUMED version: 2.4.2
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

# dihedrals
# improper
imp0: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=7,8,9,13
The TORSION action with label imp0 calculates a scalar quantityimp1: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=35,36,37,41
The TORSION action with label imp1 calculates a scalar quantityimp2: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=58,59,60,64
The TORSION action with label imp2 calculates a scalar quantityimp3: 
TORSION
Calculate a torsional angle. More details
 
ATOMS
the four atoms involved in the torsional angle
=80,81,82,86
#PRINT ARG=* STRIDE=50 FILE=DRIVER
The TORSION action with label imp3 calculates a scalar quantity