On Thu, Mar 04, 2004, david.evans.ulsop.ac.uk wrote:
>
> I would like to do this in a script (leap.in file), but I have found that
> leap crashes with a segmentation fault if I try to remove an atom (using
> 'remove' text command) when it is bonded to any other atom.
>
> I am using AMBER7 on RedHat 9, compiled with ifort8+gcc3.2.2
>
This is a known problem, but we don't have a solution (yet). Thanks for
the report: it actually shows a slightly different way we might be able
to get at solving this. As Bill Ross pointed out, it is unlikley to be a
compiler error, and much more likely to be a code problem.
For now, the workaround (I guess) is to use the SGI version for this task.
....thanks again...dave case
--
==================================================================
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
Received on Thu Mar 04 2004 - 16:53:00 PST
