VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Jan 16 2009 - 09:31:01 CST

Hi,
  You want to read the source code for psfgen, as that's where the
generation of bonds, angles, dihedrals, etc is done. It's found in
the plugin tree, in plugins/psfgen/src

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Fri, Jan 16, 2009 at 09:17:00AM +0100, Javier Goicochea wrote:
> Hi All,
>
> By executing psfgen or writepsf angles and dihedrals can be automatically
> created in PSF files. Since these are created quite fast in VMD, I would
> like to have a similar implemetation in my code. I need to create suitable
> PSF files for crystalline structures and fluids in complex geometries
> arrangements.
>
> Can somebody tell me where is the location of code that perform these tasks
> in VMD? Which files, functions, objects, and headers are involved?
>
> Thank you in advance, Javier 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
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Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
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