--- trunk/src/brains/SimInfo.cpp 2013/08/19 13:12:00 1929 +++ trunk/src/brains/SimInfo.cpp 2013/08/19 13:51:04 1930 @@ -372,10 +372,12 @@ namespace OpenMD { void SimInfo::addInteractionPairs(Molecule* mol) { ForceFieldOptions& options_ = forceField_->getForceFieldOptions(); + vector::iterator atomIter; vector::iterator bondIter; vector::iterator bendIter; vector::iterator torsionIter; vector::iterator inversionIter; + Atom* atom; Bond* bond; Bend* bend; Torsion* torsion; @@ -418,6 +420,7 @@ namespace OpenMD { atomGroups.insert(map >::value_type(sd->getGlobalIndex(), oneAtomSet)); } } + for (bond= mol->beginBond(bondIter); bond != NULL; bond = mol->nextBond(bondIter)) {