VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Sun May 24 2009 - 11:08:09 CDT

On Sun, 2009-05-24 at 10:38 -0500, Jae Hyun Park wrote:
> Hi VMD users,

hi jae hyun,

> I'm using GROMACS and try to do a post-processing with VMD.

which version of Gromacs?

> My snapshots were successfully visualized with GROMACS "ngmx" command,
> but I cannot do that with VMD. When I try to load "trr" file from
> GROMACS, VMD is just terminated, which happens for both LINUX as well
> as WINDOWS versions. What could be the possible reason of this
> happening? I would deeply appreciate any comments on this problem.

there are two likely options: your file is corrupt and ngmx can silently
fix it, why the molfile plugin cannot, or incompatible changes in
the .trr that are not (yet) supported by the vmd plugins.

can you produce a very small file that reproduces it and upload it
to the VMD public project BioFS (just create a new directory under
testfiles) so that it can be verified and (hopefully) fixed.

cheers,
    axel.

> Jae H. Park
> =======================================
> Jae Hyun Park, Ph.D.
> 3215 Beckamn Institute
> University of Illinois at Urbana-Champaign
> 405 North Mathews Avenue
> Urbana, IL 61801
> (Tel) 217-244-4353, (FAX) 217-244-4333
> (E-mail) jaepark_at_illinois.edu 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.