On Tue, 2014-03-25 at 15:16 +0100, Urszula Uciechowska wrote:
> hi,
>
> I changed it to RES but still getting error:
>
> My input file is the following:
>
> energy minimization
> &cntrl
> imin = 1,
> maxcyc = 2000,
> ncyc = 250,
> cut = 10,
> ntb = 1,
> ntr = 1,
> /
> Hold the DNA-protein fixed
> RES 1 289
> END
> END
This group input is not correct for restraints (the line after "Hold the
DNA-protein fixed" needs to be the restraint weight).
You should use "restraintmask" and "restraint_wt" instead, anyway.
Good luck,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Tue Mar 25 2014 - 09:30:03 PDT
