[gmx-users] Re: Targeted MD

[Stanislav Bobritsky]

2008/1/9, Berk Hess <gmx3 at hotmail.com>:
>
>
>
>
> ________________________________
> > Date: Wed, 9 Jan 2008 15:30:38 +0200
> > From: beavered at gmail.com
> > To: gmx-users at gromacs.org
> > Subject: [gmx-users] Re: Targeted MD
> >
> >
> > Ran Friedman wrote:
> >>Dear Stanislav,
> >>
> >>AFAIK there's no "targeted MD" in GMX. You can run EDS or use the
> >>flooding algorithm.
> >>
> >>Ran.
> >
> > Well, but (as I know from Manual, Ch. 6, p. 120) there is "approach to
> do targeted MD" in GMX.
>
> Did you add position restraint to your protein
> topology?


No, I did not.
What group must be restrained therefore? Whole protein or whole protein
except loop?
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