--- trunk/mdtools/headers/ForceFields.hpp 2002/10/18 21:20:29 150 +++ trunk/mdtools/headers/ForceFields.hpp 2002/10/21 22:02:53 151 @@ -7,6 +7,10 @@ class bond_pair{ #include "Atom.hpp" #include "SimInfo.hpp" +#ifdef IS_MPI +#include "mpiForceField.h" +#endif + class bond_pair{ public: bond_pair(){} @@ -63,6 +67,17 @@ 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;