const gmx_mtop_t& mtop,
const bool useEssentialDynamics,
const bool doOrientationRestraints,
- const bool useReplicaExchange,
const bool haveFrozenAtoms,
const bool doRerun,
const DevelopmentFeatureFlags& devFlags,
{
errorMessage += "Shells are not supported.\n";
}
- if (useReplicaExchange)
- {
- errorMessage += "Replica exchange simulations are not supported.\n";
- }
if (inputrec.eSwapCoords != SwapType::No)
{
errorMessage += "Swapping the coordinates is not supported.\n";