[gmx-users] Re: Need protein-ligand free energy calculation tutorial

[Michael Shirts]

There are some starter files here:

http://www.gromacs.org/Documentation/Tutorials/GROMACS_USA_Workshop_and_Conference_2013/An_introduction_to_free_energy_calculations%3a_Michael_Shirts%2c_Session_2A

Which can be used in conjunction with the Alchemistry.org instructions.

But it needs to be updated a bit more . . .

On Thu, Sep 19, 2013 at 3:38 AM, hsp85 <sfilkin at gmail.com> wrote:
> Actually,
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/
> there are two different manuals - one about free energy calculation and
> other about protein ligand complexes.
>
> This page is also can be helpfull
> http://www.alchemistry.org/wiki/Category:Free_Energy_How-to%27s
>
> Sergey Filkin
>
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