--- trunk/OOPSE/libmdtools/SimInfo.hpp 2003/04/04 19:47:19 458 +++ trunk/OOPSE/libmdtools/SimInfo.hpp 2003/04/09 04:06:43 483 @@ -48,6 +48,7 @@ class SimInfo{ (public) // no long range forces. int* identArray; // array of unique identifiers for the atoms + int* molMembershipArray; // map of atom numbers onto molecule numbers int n_constraints; // the number of constraints on the system