--- branches/development/src/nonbonded/InteractionManager.cpp 2013/04/30 15:56:54 1868 +++ branches/development/src/nonbonded/InteractionManager.cpp 2013/05/15 15:09:35 1874 @@ -93,7 +93,6 @@ namespace OpenMD { AtomType* atype1; AtomType* atype2; pair key; - pair::iterator, bool> ret; for (atype1 = atomTypes->beginType(i1); atype1 != NULL; atype1 = atomTypes->nextType(i1)) { @@ -120,11 +119,7 @@ namespace OpenMD { for( it2 = typeMap_.begin(); it2 != typeMap_.end(); ++it2) { atype2 = (*it2).second; - - bool vdwExplicit = false; - bool metExplicit = false; - // bool hbExplicit = false; - + key = make_pair(atype1, atype2); if (atype1->isLennardJones() && atype2->isLennardJones()) { @@ -159,6 +154,10 @@ namespace OpenMD { if (nbiType != NULL) { + bool vdwExplicit = false; + bool metExplicit = false; + // bool hbExplicit = false; + if (nbiType->isLennardJones()) { // We found an explicit Lennard-Jones interaction. // override all other vdw entries for this pair of atom types: