VMD-L Mailing List

From: Lutz Maibaum (maibaum_at_berkeley.edu)
Date: Mon Oct 02 2006 - 15:10:43 CDT

I ran into a strange problem with the LAMMPS plugin that ships with vmd
1.8.5. If you load the attached file "np1.lammpstrj" into vmd and select
"type" as coloring method, you see 5 different planar layers along the
z-direction. If you do the same with the file "np2.lammpstrj", the
layering is messed up, at least the color coding is not correct.

The interesting thing is that both files contain the same configuration.
The np1 file was created by LAMMPS in single processor mode, whereas the
np2 file ran on two processors. In this case the output of LAMMPS is not
ordered by ascending atom-id, which might have something to do with this
problem.

Could someone confirm/falsify/fix this problem? I know that according to
the documentation the LAMMPS plugin ignores the atom type anyways, but it
seems to work fine for the np1 file, and it would be great if it could
work for the other one as well.

Thanks,

  Lutz