VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Aug 28 2009 - 09:55:37 CDT

Hi,
  At present, we only have a plugin for reading GAMESS log files.
If someone can write the code to parse the output files that are generated
using CHARMM/GAMESS-UK, then it can be made into a VMD plugin and you'll
be able to load and display them in VMD. If the GAMESS-UK log files
are similar enough to those produced by the regular version of GAMESS,
then you might be able to simply update/adapt the existing GAMESS plugin
to handle the GAMESS-UK log files.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Fri, Aug 28, 2009 at 05:47:34PM +0300, Dan thomas Major wrote:
>
> Hi,
> is it possible to view molecular orbitals generated with CHARMM/GAMESS-UK
> in VMD? If yes, how? If not, what is the simplest way to do this with some
> scripting?
> Thanks,
> Dan
>
> Dan T Major (PhD)
> Chemistry Department
> Bar-Ilan University
> Ramat-Gan 52900
> Israel
> 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
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