--- trunk/src/brains/SimInfo.cpp 2013/08/17 13:03:17 1928 +++ trunk/src/brains/SimInfo.cpp 2013/08/19 13:12:00 1929 @@ -938,16 +938,21 @@ namespace OpenMD { } } - // Build the identArray_ + // Build the identArray_ and regions_ identArray_.clear(); - identArray_.reserve(getNAtoms()); - for(mol = beginMolecule(mi); mol != NULL; mol = nextMolecule(mi)) { + identArray_.reserve(getNAtoms()); + regions_.clear(); + regions_.reserve(getNAtoms()); + + for(mol = beginMolecule(mi); mol != NULL; mol = nextMolecule(mi)) { + int reg = mol->getRegion(); for(atom = mol->beginAtom(ai); atom != NULL; atom = mol->nextAtom(ai)) { identArray_.push_back(atom->getIdent()); + regions_.push_back(reg); } } - + topologyDone_ = true; }