[gmx-users] supervised MD in Gromacs?
João Henriques
joao.henriques.32353 at gmail.com
Tue Dec 8 11:27:00 CET 2015
Dear Albert,
You'll have to provide more information. As it is, I doubt anyone
understands what you're referring to. What method is it? Where is it
presented? Etc.
Best regards,
João
On Tue, Dec 8, 2015 at 11:01 AM, Albert <mailmd2011 at gmail.com> wrote:
> Dear:
>
> I noticed that several paper successfully captured the process of ligand
> binding to a protein deep pocket in tens of ns time scale MD simulations
> without any biased. It is a really impressive an useful method.
>
> I am just wondering can we do this in Gromacs?
>
> Thanks a lot
>
> Albert
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