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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Received on Wed Jun 05 2013 - 00:30:03 PDT
