--- trunk/src/UseTheForce/ForceField.cpp 2008/07/14 12:35:58 1277 +++ trunk/src/UseTheForce/ForceField.cpp 2008/07/30 18:11:19 1282 @@ -515,6 +515,12 @@ namespace oopse { std::vector keys; keys.push_back(at); return atomTypeCont_.add(keys, atomType); + } + + bool ForceField::replaceAtomType(const std::string &at, AtomType* atomType) { + std::vector keys; + keys.push_back(at); + return atomTypeCont_.replace(keys, atomType); } bool ForceField::addBondType(const std::string &at1, const std::string &at2,