[gmx-users] Free energy calculation

[Billy Williams-Noonan]

It would probably be easiest to generate a PMF curve.  Try Justin Lemkul's
PMF tutorial and alter the box geometry as needed... :)

On 28 November 2016 at 20:56, Khadija Amine <kh.amine1 at gmail.com> wrote:

> Dear Gromacs users,
>
> I have a system of protein-protein interaction.
>
> Is it possible to calculate the free energy of the complex?
>
> If it so, could you please give me an efficient tool to compute the free
> energy calculation.
>
> Any suggestion. Thank you
>
>
> *Khadija AMINE*
>
>
> *Computational Biology*
> *Postdoctoral Research Associate*
> *Carnegie Mellon University​*
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