Project ID: plumID:19.059
Source: plumed_be-common.dat
Originally used with PLUMED version: 2.2.3
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 onv2.8
tested onmaster
#RESTART
# randomize the exchange (not between consecutive indeces, here just 2 replicas, so it is not relevant)
RANDOM_EXCHANGES
Set random pattern for exchanges. More details
# set up the two torsion collective variables # omega (use cv1 so it will be compatible with the METAGUI analysis plugin) cv1:
TORSION
Calculate a torsional angle. More details
ATOMS
the four atoms involved in the torsional angle
=19,40,42,45 # psi (use cv2 so it will be compatible with the METAGUI analysis plugin) cv2:
TORSION
Calculate a torsional angle. More details
ATOMS
the four atoms involved in the torsional angle
=41,45,53,55