From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Wed Apr 06 2005 - 13:28:34 CDT
Hello,
Did you specify the correct topology file to use?
ie the command topology is present in your psfgen script
topology some_topology_file.inp
and this file has the correct residue that you are trying to build?
Brian
On Wed, 6 Apr 2005 mustapha.hamdi_at_ensi-bourges.fr wrote:
> Hi,
>
> I am trying to work with nanotubes using NAMD and VMD. I´ve tried to
> generate the nanotubes psf file from the nanotubes.pdb file using PSFGEN
> from NAMD 2.5 for Win32-i686, and I obtain some errors like this:
>
> building segment A
> reading residues from pdb file tube.pdb
> unknown residue type ARM
> extracted 1 residues from pdb file
> Info: generating structure...
> unknown residue type MOL
> ERROR: failed on end of segment
> MOLECULE DESTROYED BY FATAL ERROR! Use resetpsf to start over.
>
>
> Please I would like to know how to solve this problem.
>
>
> Best regards.
>
>
>
>
>
************************************************
Brian Bennion, Ph.D.
Bioscience Directorate
Lawrence Livermore National Laboratory
P.O. Box 808, L-448 bennion1_at_llnl.gov
7000 East Avenue phone: (925) 422-5722
Livermore, CA 94550 fax: (925) 424-6605
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