From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Thu Apr 07 2005 - 11:10:45 CDT

The particular error "unknown residue type 1" seems to indicate that
psfgen is reading the residue type string from the pdb file as "1" rather
than a name list "ALA", and is not finding "1" in the topology file. This
suggests that the format of the PDB file is wrong, and loading it into VMD
will probably give strange residue names as well.

-Jim

On Wed, 6 Apr 2005, John Stone wrote:

>
> 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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