On Tue, May 25, 2004, bybaker.itsa.ucsf.edu wrote:
>
> I tied to run 'sander' for initial testing. But I got an error massage
> saying that floating point exception. The follows are what I typied in
> 'sander':
>
> ----
> Guanine.10% sander -O -i /home/spin/bybaker/model1min.in -o
> model1-1min.out -c model1-1.crd -p model1-1.top -r model1-1min.rst
> ---
>
> and this is what I received:
>
> ---
> forrtl: error(75): floating point exception
> cannot read in sander
> ---
(1) I'm assuming that the test cases pass.
(2) What is in the file model1-1min.out?
(3) This sometimes comes from a bad initial structure; use the "checkoverlap"
command in ptraj to see if you have any bad atom-atom contacts.
....good luck...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
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Received on Thu May 27 2004 - 10:53:01 PDT
