VMD-L Mailing List

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Thu Mar 01 2007 - 15:05:51 CST

I think I may have misunderstood your question; I thought you were
asking about feasibility, not procedure. Sorry about that. In any case,
the autopsf docs are at www.ks.uiuc.edu/Research/vmd/plugins/autopsf

In brief, you load up your molecule, pick the topology files of
interest, and then either click "I'm feeling lucky" (to generate a psf
using some defaults) or work through the steps in each frame as outlined
in the documentation, to get more control over the process.

Peter
On Thu, Mar 01, 2007 at 10:35:44AM +0000, Inês Sousa wrote:
> Dear VMD users,
>
> I want to know how we can transform pdb files in psf files of small
> molecules using autopsf from VMD.
>
> Thanks for yours attention.
>
>
> Inês Sousa
> Universidade da Madeira
> Madeira
> Portugal
> inesjsousa_at_gmail.com