VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Fri May 15 2009 - 12:32:48 CDT

On Fri, 2009-05-15 at 12:42 -0400, Gopinath Subramanian wrote:
> VMD seems to be unable to read a lammps trajectory file produced by
> the latest version of LAMMPS. The reason for this is one line in the
> dump file - namely, the "ITEM: ATOMS" line.
>
> The old version of lammps produced the text "ITEM: ATOMS", while the
> new version produces "ITEM: ATOMS id mol x y z etc. etc."
>
> This seems to cause the lammps plugin that VMD uses to generate an
> error. I currently fix this by modifying the LAMMPS source code to
> supress extra text in that line, but was wondering if there is another
> way around this.

yes, there is a way. please try the latest VMD beta version.
the support for LAMMPS has been significantly improved. due to
the change (which we discussed with steve a long time ago) VMD
can also handle many custom dump files, too. please
see my recent posting to the LAMMPS users mailing list on the
subject with many more details.

cheers,
    axel.

>
> GS.
> 

-- 
=======================================================================
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.