--- trunk/mdtools/headers/ForceFields.hpp 2002/10/21 22:02:53 151 +++ trunk/mdtools/headers/ForceFields.hpp 2002/12/19 21:59:51 215 @@ -67,17 +67,6 @@ class ForceFields{ (protected) virtual void initializeTorsions( torsion_set* the_torsions ) = 0; protected: - - void ffError( char* errMsg ){ - -#ifdef IS_MPI - ffInterfaceExit( errMsg ); -#else - fprintf( stderr, "%s\n", errMsg ); - exit(0); -#endif - } - FILE *frcFile; SimInfo* entry_plug; @@ -121,4 +110,16 @@ class TraPPE_ExFF : public ForceFields{ (public) void initializeTorsions( torsion_set* the_torsions ); }; +class LJ_FF : public ForceFields{ + +public: + LJ_FF(); + virtual ~LJ_FF(); + + void initializeAtoms( void ); + void initializeBonds( bond_pair* the_bonds ); + void initializeBends( bend_set* the_bends ); + void initializeTorsions( torsion_set* the_torsions ); +}; + #endif