lastStep_(-1),
canMoleculesBeDistributedOverPBC_(canMoleculesBeDistributedOverPBC),
systemHasPeriodicMolecules_(inputrec->bPeriodicMols),
- pbcType_(inputrec->ePBC),
+ pbcType_(inputrec->pbcType),
topologyHolder_(topologyHolder),
lastPlannedStep_(inputrec->nsteps + inputrec->init_step),
writeFinalConfiguration_(writeFinalConfiguration),