[gmx-users] Re: constrained minimization (David van der Spoel)
sunnytov at hotmail.com
Mon Sep 11 18:44:52 CEST 2006
> > Dear All
> > I just saw from the mailing list that David answered that the
> > minimization can be done and it is different from the constrained
> > minimization. For the torsional parameter optimization, I think I need
> > to run minimization after constraining torsion angles. Does anyone know
> > the way to constrain the torsion angle during minimization?
>this is not implemented I'm afraid. Do you have a reference describing
>how to do it?
I am afraid not...
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