RANDOM_EXCHANGES

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 [30].

SEED	seed for random exchanges

Examples

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.dat.0

RANDOM_EXCHANGES
t: TORSION ATOMS=1,2,3,4
METAD ARG=t HEIGHT=0.1 PACE=100 SIGMA=0.3

Here is plumed.dat.1

RANDOM_EXCHANGES
t: TORSION ATOMS=2,3,4,5
METAD ARG=t HEIGHT=0.1 PACE=100 SIGMA=0.3

Here is plumed.dat.2

RANDOM_EXCHANGES
t: TORSION ATOMS=3,4,5,6
METAD ARG=t HEIGHT=0.1 PACE=100 SIGMA=0.3

Warning

Multi replica simulations are presently only working with gromacs.

The directive should appear in input files for every replicas. In case SEED is specified, it should be the same in all input files.