Re: AMBER: strange problem with a small system

From: GUILLERMINA L ESTIU <gle10.psu.edu>
Date: Wed, 23 Jul 2003 15:13:47 -0400 (EDT)

I am attaching the log file.
Amber6 works for the system

On Wed, 23 Jul 2003 11:51:59, "David A. Case" wrote:

> On Wed, Jul 23, 2003, GUILLERMINA L ESTIU wrote:
> >
> > Now I am trying to run tleap for a small system (active site) of only 76
> > atoms. Tleap does not complain. Everything is fine in the log file, but it
> > is giving me "core dump" and fails to finish writing either the crd or the
> > top file, whichever I define first
>
> There is not nearly enough information here to be of any help. All you have
> really said is that your system has 76 atoms...that's not much to go on!
>
> In particular, I can't figure out what you mean by "either the crd or the top
> file, whichever I define first", since the saveAmberParm command does not have
> any optional order to its arguments.
>
> As with other problem reports, you need to indicate what commands you actually
> used. In this case, at least the leap.log file is needed.
>
> ..regards...dac
>
> --
>
> ==================================================================
> David A. Case | e-mail: case.scripps.edu
> Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
> The Scripps Research Institute | phone: +1-858-784-9768
> 10550 N. Torrey Pines Rd. | home page:
> La Jolla CA 92037 USA | http://www.scripps.edu/case
> ==================================================================
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>
>
>



Dr Guillermina Estiu
Chemistry Department
Pennsylvania State University
PA 16802

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu



Received on Wed Jul 23 2003 - 20:53:00 PDT
Custom Search