* \param[in] useEssentialDynamics If essential dynamics is active.
* \param[in] doOrientationRestraints If orientation restraints are enabled.
* \param[in] useReplicaExchange If this is a REMD simulation.
+ * \param[in] doRerun It this is a rerun.
*
* \returns Whether complete simulation can be run on GPU.
* \throws std::bad_alloc If out of memory
const gmx_mtop_t& mtop,
bool useEssentialDynamics,
bool doOrientationRestraints,
- bool useReplicaExchange);
+ bool useReplicaExchange,
+ bool doRerun);
} // namespace gmx