Dear David,
I did not see this at first in the manual, sorry.
Thanks a lot for the help
Le vendredi 07 janvier 2005 à 16:06 -0800, David A. Case a écrit :
> On Fri, Jan 07, 2005, pl wrote:
> >
> > I have a question on weighting restraints separately according to
> > their type (hbonds, dihedrals...).
> > Let's say during the MD I want to weight the HBond restraints smoothly
> > to their full rk2 and rk3 values while I want the torsion restraints to
> > their full potential.
> > I read in the manual the weight REST includes all restraints from
> > the RST file without distinction, or did I miss something?
>
> Each restraint weight can be varied individually by setting the r2ka and r3ka
> variables...see the Users' Manual. So it would not be hard to keep the
> torsions restraints constant and let the h-bond restraints vary with time.
>
> ...good luck...dac
>
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Received on Mon Jan 10 2005 - 09:53:00 PST
