Gromacs  2020.4
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
List of all members | Public Attributes
ReplicaExchangeParameters Struct Reference

#include <gromacs/mdrun/replicaexchange.h>

Description

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.
 

The documentation for this struct was generated from the following file: