--- trunk/OOPSE/libmdtools/Molecule.cpp 2003/04/09 04:06:43 483 +++ trunk/OOPSE/libmdtools/Molecule.cpp 2003/04/10 20:08:56 489 @@ -178,7 +178,7 @@ double Molecule::getCOMvel( double COMvel[3] ) { for (i=0; i < nAtoms; i++) { if (myAtoms[i] != NULL) { - + mass = myAtoms[i]->getMass(); mtot += mass; COMvel[0] += myAtoms[i]->get_vx() * mass; @@ -202,7 +202,7 @@ void Molecule::atomicRollCall(int* molMembership) { for (i=0; i < nAtoms; i++) { if (myAtoms[i] != NULL) { which = myAtoms[i]->getIndex(); - molMembership[which] = myIndex; + molMembership[which] = globalIndex; } } }