AMBER Archive (2003)

Subject: Re: problem_namelist_reading

From: Khanh.Dao_at_iac.uib.no
Date: Wed Apr 30 2003 - 00:26:58 CDT

Thanks for your advice.
It's nice for me to learn both about the Amber program and also the Unix
message, which is useful when a program is updated in general.

Dao

> On Tue, Apr 29, 2003, Khanh.Dao_at_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 Some of the tutorials are a bit out of date.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_at_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
> ==================================================================
>
>