PLUMED-NEST-TEST-SITE

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

#RESTART
# randomize the exchange (not between consecutive indeces, here just 2 replicas, so it is not relevant)
RANDOM_EXCHANGESSet 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)
The RANDOM_EXCHANGES action with label  calculates somethingcv1The TORSION action with label cv1 calculates the following quantities:
 Quantity   
 Type   
 Description  
cv1
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=19,40,42,45
# psi (use cv2 so it will be compatible with the METAGUI analysis plugin)
cv2The TORSION action with label cv2 calculates the following quantities:
 Quantity   
 Type   
 Description  
cv2
scalar
the TORSION involving these atoms: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=41,45,53,55