[MMTK] PDB file

Shirley Hui shirleyhui at alumni.uwaterloo.ca
Tue May 11 15:55:17 CEST 2004


The file I have been using is attached.
Actually I got off the web from the NAMD web site.
Thank you,
shirley

----- Original Message -----
From: "Konrad Hinsen" <hinsen at cnrs-orleans.fr>
To: "Shirley Hui" <shirleyhui at alumni.uwaterloo.ca>
Cc: <mmtk at python.net>
Sent: Tuesday, May 11, 2004 8:21 AM
Subject: Re: [MMTK] PDB file


On May 11, 2004, at 2:13, Shirley Hui wrote:

> I just tried again with another PDB file and it seems to work with the
> other PDB file?
> I wonder if it just something wrong with the alanin file that I have?
> Does anyone else have problems with alanin.pdb?
> The alanin.pdb file I am using is below:

As shown here it certainly doesn't work, the formatting is pretty
ruined because your mailer replaced multiple spaces by a single one.
Other than that, I would expect a problem because of the group CBX at
the end, which MMTK doesn't know. But that should be a different error
message. Could you send that file again as an attachment, for  closer
inspection?

Konrad.
---------------------------------------------------------------------
Konrad Hinsen
Laboratoire Léon Brillouin, CEA Saclay,
91191 Gif-sur-Yvette Cedex, France
Tel.: +33-1 69 08 79 25
Fax: +33-1 69 08 82 61
E-Mail: hinsen at llb.saclay.cea.fr
---------------------------------------------------------------------


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