Gromacs
2024.4
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#include <gromacs/mdrun/replicaexchange.h>
The parameters for the replica exchange algorithm.
Public Attributes | |
int | exchangeInterval = 0 |
Interval in steps at which to attempt exchanges, 0 means no replica exchange. | |
int | numExchanges = 0 |
The number of exchanges to attempt at an exchange step. | |
int | randomSeed = -1 |
The random seed, -1 means generate a seed. | |