Based on the experience from a topotools user today, I think we need to make two adjustments before the next release of VMD. The first is to detect out-of-order molecular fragments, which will cause problems for grompp when the coordinates are read sequentially but the individual molecules are out of order. The second is a small change to the "type" selection we make. This needs to be protected so that special characters don't break the parser.
Based on the experience from a topotools user today, I think we need to make two adjustments before the next release of VMD. The first is to detect out-of-order molecular fragments, which will cause problems for grompp when the coordinates are read sequentially but the individual molecules are out of order. The second is a small change to the "type" selection we make. This needs to be protected so that special characters don't break the parser.