VMD-L Mailing List

From: Lutz Maibaum (maibaum_at_berkeley.edu)
Date: Thu Oct 05 2006 - 19:11:56 CDT

On Thursday 05 October 2006 14:48, Marco Kalweit wrote:
> I think you are right,
> thanks for the correction.

If you think this patch is correct, could you merge it into the vmd code? It
might still not be the perfect solution (it fails if the atomid is outside
the range [1, NATOMS], which I don't think LAMMPS guarantees, especially when
using the delete_atoms command), but it should be an improvement over the
version that comes with 1.8.5.

Thanks,

  Lutz