On Tue, Apr 29, 2003, Khanh.Dao.iac.uib.no wrote:
>
> I try to do the tutorial streptavidin/biotin tutorial. When I ran sander with
> the command line
>
> sander -O -i md0.in -p stbtcap.top -c min.rst -o md0.out -x mdO.crd -r mdO.rst
>
> I got the message:
>
> namelist read (nrun):variable not in namelist
> apparent state: unit 5 named md0.in
> last format: namelist io
> Unit 5 is a sequential formatted external file
> *** Execution Terminated (119)***
Some of the tutorials are a bit out of date. Remove the nrun variable from
your input namelist; you also should remove the "idiel" variable.
The tutorial was set up for sander_classic (no longer in Amber7, and you are
using sander....but the above changes should get you goin.
...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 Tue Apr 29 2003 - 16:53:01 PDT
