--- trunk/OOPSE/libmdtools/SimInfo.hpp 2004/04/22 21:33:55 1131 +++ trunk/OOPSE/libmdtools/SimInfo.hpp 2004/04/28 22:06:29 1139 @@ -91,6 +91,7 @@ class SimInfo{ (public) int useReactionField; int useGB; int useEAM; + int useMolecularCutoffs; bool useInitXSstate; double orthoTolerance;