VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Aug 25 2003 - 13:27:45 CDT

Dear Raymond,
  The solvate script that comes packaged as a plugin with VMD is
normally executed by doing this:
  package require solvate
(then run your actual solvate command(s)...)

That should cure the error you're getting when you try to source it manually.

Thanks,
  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Aug 25, 2003 at 02:30:31PM -0400, Raymond C. Fort Jr. wrote:
> I'm trying to use the solvate script in the plugins/noarch directory to
> solvate a protein. I have the script, the .pdb file, the .psf file, and
> the water files. I source the solvate script and then run it as directed
> in the script: solvate file.psf file.pdb. I get the message that
> env<SOLVATEDIR> doesn't exist. Any ideas?
>
> Thanks in advance.
>
>
> Professor Ray Fort Jr. Voice: (207)-581-1180
> Department of Chemistry FAX: (207)-581-1191
> University of Maine EMail: rcfort_at_maine.edu
> Orono, ME 04469 Web:
> chemistry.umeche.maine.edu/fort.html
>
> Molecular modeling of organic and biological molecules; wood and pulping
> chemistry
>
> 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
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Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349              
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078