This is part of the generic module |
Set random pattern for exchanges.
In this way, exchanges will not be done between replicas with consecutive index, but will be done using a random pattern. Typically used in bias exchange [88].
SEED | seed for random exchanges |
Using the following three input files one can run a bias exchange metadynamics simulation using a different angle in each replica. Exchanges will be randomly tried between replicas 0-1, 0-2 and 1-2
Here is plumed.0.dat
RANDOM_EXCHANGES t: TORSION ATOMS=1,2,3,4 METAD ARG=t HEIGHT=0.1 PACE=100 SIGMA=0.3
Here is plumed.1.dat
RANDOM_EXCHANGES t: TORSION ATOMS=2,3,4,5 METAD ARG=t HEIGHT=0.1 PACE=100 SIGMA=0.3
Here is plumed.2.dat
RANDOM_EXCHANGES t: TORSION ATOMS=3,4,5,6 METAD ARG=t HEIGHT=0.1 PACE=100 SIGMA=0.3