Re: Sander

From: Omar Stradella <omar_at_boston.sgi.com>
Date: Wed 11 Aug 1999 14:29:20 -0400 (EDT)

On Wed, 11 Aug 1999, Laila Abou Zeid wrote:

> Dear Amber usres
>
> I'm running Molecular dynamic for "5ps" the run stopped after 3800 nstlim
> without warrning and there was a core that has some details about fetal
> flages that I could not solve, note my protein has:
> NATOM = 79793 NRES = 23773
>

Laila,

When you get a core file, you have to use "dbx" to find out where the
program crashed. Do "dbx path_to_sander" in the directory that contains
the core file (path_to_sander should be the actual path to the sander
executable). When you get the (dbx) prompt, enter "where". That will
tell you the subroutine where the program aborted.

Omar

+---------------------------------------------------------------------+
Omar G. Stradella, Ph.D.
SGI / Chemistry and Biology Applications Group
One Cabot Road, Hudson, MA 01749, USA N 42 22'40" W 71 33'44"
E-mail: omar_at_boston.sgi.com Phone: +1-978-567-2258 FAX: +1-978-562-4755

+-------- Ph-nglui mglw'nafh Cthulhu R'lyeh wgah'nagl fhtagn -------+
Received on Wed Aug 11 1999 - 11:29:20 PDT
Custom Search