--- trunk/mdtools/headers/ForceFields.hpp 2002/11/14 22:00:44 176 +++ trunk/mdtools/headers/ForceFields.hpp 2003/01/08 21:54:20 225 @@ -70,6 +70,10 @@ class ForceFields{ (protected) FILE *frcFile; SimInfo* entry_plug; + + int lineNum; + char readLine[500]; + char* eof_test; }; @@ -110,4 +114,21 @@ 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 ); + +private: + + void fastForward( char* stopText, char* searchOwner ); + +}; + #endif