fix topology parsing

        $ids{$tmp[1]}           = $tmp[2];

        $masses{$tmp[1]}        = $tmp[3];

        $max_id                 = $tmp[1] if ($max_id<$tmp[1]);

      }

      } elsif ($read&&($tmp[0] eq "ATOM")) {

        # $names{$tmp[1]} = $tmp[4] if ($read&&($tmp[0] eq "MASS"));

      last if ($read&&!scalar(@tmp));                   # quit reading

        #last if ($read&&!scalar(@tmp));                   # quit reading

        last;

      }

    }

    AddMass(HT, 1.00800);

    AddMass(OT, 15.99940);