VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Sep 15 2004 - 13:23:15 CDT

Shirly,
  You can't run the Solvate scripts without VMD as they are based
on the psfgen plugin, and make extensive use of the VMD atom selection
features. There are other standalone solvation packages available
elsewhere however:
  http://www.mpibpc.gwdg.de/abteilungen/071/solvate/docu.html

You can certainly write VMD scripts that will solvate large numbers
of structures with the solvate plugin in a batch-like mode, if that's
really your ultimate goal.

  John
  
On Tue, Sep 14, 2004 at 09:16:14AM -0400, Shirley Hui wrote:
> Is it possible to run solvate.tcl from the command line?
> I would like to use it as a "standalone" program without having to run it though VMD?
> Would I need to install Tcl/Tk in order to do this?
> thank you,
> shirley 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
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