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Gromacs
2026.0-dev-20251114-850eace
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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. | |
1.8.5