VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Aug 18 2010 - 15:00:41 CDT

Hi,
  You can use the 'molefacture' plugin in VMD to build small structures,
but whether this is actually what you need for CPMD is another question
entirely. Without more information I'm afraid I can't give more explicit
guidance. The structure preparation tools in VMD are oriented heavily
towards biological simulations, so if what you're doing doesn't fall
into that category, you may be better off searching for a tool that's
more specifically focused on CPMD or the kinds of structures you're building.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Aug 09, 2010 at 02:41:18PM +0300, Agnieszka Sobkiewicz wrote:
> Hi,
> That's very basic question but I do not know how to create an input file to
> vmd? Do I need another program for that, like HyperChem? I have a case with a
> solvent, ideal for cpmd in fact. Could I make an input file in vmd or I can
> only load?
>
> Agnieszka 

-- 
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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