This did the trick. Many many thanks
-Jose
On Sat, Feb 6, 2010 at 11:53 AM, case <case.biomaps.rutgers.edu> wrote:
> On Fri, Feb 05, 2010, Jose Borreguero wrote:
> >
> > I want to impose positional restraints of different strengths to
> different
> > residues. I have the following section in my input file:
> > ...
> > #Apply restraints to the solute atoms
> > 100.0
> > RES 1 166
> > 1.0
> > RES 181
>
> I think you need END and title cards between separate sections, e.g.
>
> Title: restarints from 1-166
> 100.0
> RES 1 166
> END
> second title: weaker restraints for 181
> 1.0
> RES 181 181
> END
> END
>
> Note that 100.0 is a very strong restraint: consider a value about 10 times
> smaller.
>
> ...good luck....dac
>
>
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Received on Tue Feb 09 2010 - 05:30:02 PST
