--- trunk/OOPSE-1.0/libmdtools/SimSetup.hpp 2004/07/27 18:14:16 1419 +++ trunk/OOPSE-1.0/libmdtools/SimSetup.hpp 2004/07/28 21:45:55 1430 @@ -13,6 +13,8 @@ class SimSetup{ // this routine is defined in BASS_interface.cpp extern void set_interface_stamps( MakeStamps* ms, Globals* g ); +string getPrefix(const string& str ); + class SimSetup{ public: @@ -25,6 +27,7 @@ class SimSetup{ (private) void parseFile( char* fileName ); void createSim( void ); + ForceFields* getForceField() {return the_ff;} private: #ifdef IS_MPI