--- trunk/OOPSE/libmdtools/SimSetup.cpp 2003/03/27 19:21:42 422 +++ trunk/OOPSE/libmdtools/SimSetup.cpp 2003/03/27 20:36:16 424 @@ -88,9 +88,7 @@ void SimSetup::createSim( void ){ - if( !strcmp( force_field, "TraPPE" ) ) the_ff = new TraPPEFF(); - else if( !strcmp( force_field, "DipoleTest" ) ) the_ff = new DipoleTestFF(); - else if( !strcmp( force_field, "TraPPE_Ex" ) ) the_ff = new TraPPE_ExFF(); + if( !strcmp( force_field, "TraPPE_Ex" ) ) the_ff = new TraPPE_ExFF(); else if( !strcmp( force_field, "LJ" ) ) the_ff = new LJ_FF(); else{ sprintf( painCave.errMsg, @@ -654,8 +652,6 @@ void SimSetup::createSim( void ){ // new AllLong( simnfo ); - if( !strcmp( force_field, "TraPPE" ) ) new Verlet( *simnfo, the_ff ); - if( !strcmp( force_field, "DipoleTest" ) ) new Symplectic( simnfo, the_ff ); if( !strcmp( force_field, "TraPPE_Ex" ) ) new Symplectic( simnfo, the_ff ); if( !strcmp( force_field, "LJ" ) ) new Verlet( *simnfo, the_ff );