[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,

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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