Re: help generating psf files

From: Peter Freddolino (
Date: Wed Oct 05 2005 - 22:09:07 CDT

could you let us know what error you get, exactly? Does it complain when
you try to load the topology file? If so, what does it say?

Richard Wood wrote:

>I've just started using NAMD and VMD. I've run the
>alanine example and it runs fine. However, when I try
>to run something new, I can't create a psf using
>psfgen. I've discovered that the problem is in the
>reading of the file top_all22_prot.inp, which I
>obtained from Alex Mackerrel's web site.
>Is there a trick to getting psfgen to read this file?
>I have even tried to read this file in and generate a
>psf for alanine from alanin.pdb, but it can't find the
>What am I doing incorrectly?
>Yahoo! Mail - PC Magazine Editors' Choice 2005

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