--- trunk/OOPSE/libmdtools/DUFF.cpp 2003/07/17 20:32:24 635 +++ trunk/OOPSE/libmdtools/DUFF.cpp 2003/08/20 19:11:51 704 @@ -1310,7 +1310,9 @@ void DUFF::initializeBends( int nBends, Bend** bendArr } gBend = new GhostBend( *the_atoms[a], - *the_atoms[b] ); + *the_atoms[b], + *the_atoms[c] ); + gBend->setConstants( currentBendType->k1, currentBendType->k2, currentBendType->k3, @@ -1326,7 +1328,7 @@ void DUFF::initializeBends( int nBends, Bend** bendArr currentBendType->k3, currentBendType->t0 ); bendArray[i] = qBend; - } + } } } } @@ -1610,6 +1612,8 @@ int DUFF_NS::parseBond( char *lineBuffer, int lineNum, } info.d0 = atof( the_token ); + + info.k0=0.0; } else if( !strcmp( bondType, "harmonic" ) ){ info.type = HARMONIC_BOND;