AMBER Archive (2003)

Subject: Re: problem_namelist_reading

From: David A. Case (case_at_scripps.edu)
Date: Tue Apr 29 2003 - 10:12:01 CDT

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Some of the tutorials are a bit out of date.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 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
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