--- trunk/src/selection/SelectionEvaluator.cpp 2013/12/05 18:19:26 1953 +++ trunk/src/selection/SelectionEvaluator.cpp 2015/01/09 19:06:35 2052 @@ -63,6 +63,7 @@ namespace OpenMD { nObjects.push_back(info->getNGlobalBends()); nObjects.push_back(info->getNGlobalTorsions()); nObjects.push_back(info->getNGlobalInversions()); + nObjects.push_back(info->getNGlobalMolecules()); } bool SelectionEvaluator::loadScript(const std::string& filename, @@ -756,7 +757,8 @@ namespace OpenMD { for (inversion = mol->beginInversion(inversionIter); inversion != NULL; inversion = mol->nextInversion(inversionIter)) { ss.bitsets_[INVERSION].setBitOn(inversion->getGlobalIndex()); - } + } + ss.bitsets_[MOLECULE].setBitOn(mol->getGlobalIndex()); } return ss;