I believe the name targeted MD is already taken:
Schlitter, J., et al. "Targeted molecular dynamics simulation of
conformational change-application to the T↔ R transition in insulin."
Molecular Simulation 10.2-6 (1993): 291-308.
In my opinion, Steered MD might be better since although steered MD is
often used with Jarzynski, it doesn't necessarily have to.
But you should check the references.
-Dan
On Wed, Jun 5, 2013 at 4:16 PM, Jan-Philip Gehrcke
<jgehrcke.googlemail.com>wrote:
> Since there was no complaint, I guess it's fine to just call it targeted
> molecular dynamics.
>
> On 06/01/2013 04:08 PM, Jan-Philip Gehrcke wrote:
> > Hello,
> >
> > when we apply a time-dependent distance restraint between two atoms in
> > an MD simulation with a priori defined start and end values, we can
> > generally call this targeted molecular dynamics, can't we? I want to
> > avoid 'steered molecular dynamics' since in literature this term seems
> > to implicate the evaluation of the force-time relationship via the
> > Jarzynski equality, which we do not do.
> >
> > General advice on how to call such an MD (common MD with additional
> > time-dependent distance restraint between two atoms) in a manuscript
> > title is welcome.
> >
> > Thanks,
> >
> > Jan-Philip
> >
>
>
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--
Dr. Daniel J. Sindhikara <http://www.dansindhikara.com/Information.html>
Ritsumeikan University <http://www.ritsumei.ac.jp/eng/>
sindhikara.gmail.com <http://www.dansindhikara.com>
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Received on Wed Jun 05 2013 - 01:30:02 PDT
