On Mon, May 7, 2012 at 3:22 PM, Chris Chris <alpharecept.yahoo.com> wrote:
> When I use the following min.in file:
>
> min 1st time for ctz 2ps
> &cntrl
> imin=1,maxcyc=1000,ncyc=500,
> cut=8.0,ntb=1,
> ntc=2,ntf=2,
> ntpr=100,
> ntr=1,
> /
>
You need a title line here. It can be a blank line or something like
"Putting restraints on residues 1-252"
> 500.0
> RES 1 252
> END
> END
>
>
> I get the following error message:
>
> ----- READING GROUP 1; TITLE:
> 500.0
>
>
> rfree: Error decoding variable 1 3 from:
> RES
>
>
> Can someone see a problem with my min.in file? Maybe how I have the the
> order of some things in there?
>
> Thanks,
> Chris
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--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon May 07 2012 - 13:00:03 PDT
