VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Apr 06 2005 - 15:05:52 CDT

Hi,
  I assume you've already read the psfgen user's guide and been
through the structure building part of the NAMD tutorial?:
  http://www.ks.uiuc.edu/Research/vmd/plugins/psfgen/

Perhaps you have to 'pdbalias' one of your residues if it's
not one that's in your topology file. Ask Jim Phillips if you
have specific psfgen questions: jim at ks.uiuc.edu

  John Stone
  vmd_at_ks.uiuc.edu

On Wed, Apr 06, 2005 at 09:58:13PM +0800, 孙廷 wrote:
> When I prepared *.psf file by vmd, I got this result:
> building segment U
> reading residues from pdb file comp.pdb
> unknown residue type 1
> ERROR: failed on end of segment
> MOLECULE DESTROYED BY FATAL ERROR! Use resetpsf to start over.
>
> My system has a ligand ,how could I to set the residue type?
>
>
>
>
>
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-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
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