Re: AMBER: cntrl namelist error

From: David A. Case <>
Date: Sat, 22 Mar 2008 09:11:52 -0700

On Sat, Mar 22, 2008, Campbell, Patrick wrote:
> I am generating a 'Could not find cntrl namelist' error when running a
> minimization. The script that I am using is
> JK1WT 204aa : initial minimization whole system
> &cntrl
> imin = 1,
> maxcyc = 2500,
> ntpr = 5,
> &end

Take one of the test cases that works (say, dhfr), and copy its mdin file to
your directory. Edit it to use the parameters that you want, then see if that
works. You might also check that your mdin file does not have dos line
endings, although I don't think that would cause this symptom. Basically, you
have to be a detective to find the difference between your file and one that


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Received on Fri Apr 18 2008 - 21:13:10 PDT
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