VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Apr 10 2003 - 19:27:36 CDT

Ioana,
  You should be able to have Gaussian export a "cube" file with the
functions evaluated on a regular grid, VMD can load the Gaussian cube
file and you can then use the isosurface representation to see it.
If you have any trouble doing this, let me know.

Thanks,
  John Stone
  vmd_at_ks.uiuc.edu

On Thu, Apr 10, 2003 at 04:45:23PM -0700, Ioana Cozmuta wrote:
> Hi,
>
> I would like to use vmd to plot the amplitude of the wave functions
> calculated with Gaussian program for my system as isosurfaces (in
> principle).
> Any hint/help on how to do this?
>
> Thanks a lot,
> Ioana 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349              
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