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
#RESTART # randomize the exchange (not between consecutive indeces, here just 2 replicas, so it is not relevant)RANDOM_EXCHANGES# set up the two torsion collective variables # omega (use cv1 so it will be compatible with the METAGUI analysis plugin) cv1:Set random pattern for exchanges. More detailsTORSIONCalculate a torsional angle. More detailsATOMS=19,40,42,45 # psi (use cv2 so it will be compatible with the METAGUI analysis plugin) cv2:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=41,45,53,55the four atoms involved in the torsional angle