--- trunk/OOPSE/libmdtools/Integrator.hpp 2003/03/21 17:42:12 378 +++ trunk/OOPSE/libmdtools/Integrator.hpp 2003/03/27 20:12:15 423 @@ -24,8 +24,8 @@ class Verlet : public Integrator { (private) SimInfo *entry_plug; // all the info we'll ever need int c_natoms; /* the number of atoms */ Atom **c_atoms; /* array of atom pointers */ - SRI **c_sr_interactions; /* array of SRI pointers */ - int c_n_SRI; /* the number of short range interactions */ + Molecule* molecules; + int nMols; int c_is_constrained; /*boolean to know whether the systems contains constraints. */ @@ -56,6 +56,9 @@ class Symplectic : public Integrator { (private) SimInfo* entry_plug; ForceFields* myFF; + Molecule* molecules; + int nMols; + int is_constrained; /*boolean to know whether the systems contains constraints. */ int n_constrained; /*counter for number of constraints */