[MMTK] PDB file

Konrad Hinsen hinsen at cnrs-orleans.fr
Tue May 11 16:09:03 CEST 2004

On May 11, 2004, at 15:55, Shirley Hui wrote:

> The file I have been using is attached.
> Actually I got off the web from the NAMD web site.
That file is not correct, the fields for occupancy and B-factor are 
wrongly aligned. That makes MMTK read the last digit of the B-factor as 
the segment ID and thus miscount the number of elements in the line - 
and that causes the error message.

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

More information about the mmtk mailing list