--- trunk/OOPSE/libmdtools/TraPPE_ExFF.cpp 2003/03/27 17:55:20 421 +++ trunk/OOPSE/libmdtools/TraPPE_ExFF.cpp 2003/03/27 21:07:14 428 @@ -114,7 +114,7 @@ namespace TPE { // restrict the access of the folowin if( next != NULL ) next->add(info); else{ - next = new LinkedType(); + next = new LinkedAtomType(); strcpy(next->name, info.name); next->isDipole = info.isDipole; next->isSSD = info.isSSD; @@ -197,7 +197,7 @@ namespace TPE { // restrict the access of the folowin if( next != NULL ) next->add(info); else{ - next = new LinkedType(); + next = new LinkedBondType(); strcpy(next->nameA, info.nameA); strcpy(next->nameB, info.nameB); strcpy(next->type, info.type); @@ -266,7 +266,7 @@ namespace TPE { // restrict the access of the folowin if( next != NULL ) next->add(info); else{ - next = new LinkedType(); + next = new LinkedBendType(); strcpy(next->nameA, info.nameA); strcpy(next->nameB, info.nameB); strcpy(next->nameC, info.nameC); @@ -350,7 +350,7 @@ namespace TPE { // restrict the access of the folowin if( next != NULL ) next->add(info); else{ - next = new LinkedType(); + next = new LinkedTorsionType(); strcpy(next->nameA, info.nameA); strcpy(next->nameB, info.nameB); strcpy(next->nameC, info.nameC); @@ -1071,7 +1071,7 @@ void TraPPE_ExFF::initializeAtoms( int nAtoms, Atom** DirectionalAtom* dAtom; - for( i=0; ifind( the_atoms[i]->getType() ); if( currentAtomType == NULL ){