Re: help generating psf files

From: Anna Modzelewska (
Date: Thu Oct 06 2005 - 02:37:14 CDT

I've just tried and didn't have any problems with creation of psf using the top_all22_prot.inp file.

Could you send the script that you use as the input for psfgen and the output with error?

  ----- Original Message -----
  From: Richard Wood
  Sent: Tuesday, October 04, 2005 6:37 PM
  Subject: namd-l: help generating psf files

  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?


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