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

Sergey Filkin sfilkin at gmail.com
Thu Sep 19 09:36:49 CEST 2013


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


2013/9/19 Naga Sundar <naga25sundar at gmail.com>

> Dear Gromacs users
>
>            -- Iam trying to perform free energy calculation for
> protein-ligand complex.
>            --Can any one plz suggess an appropriate tutorial to be
> follow to perform this analysis
> --
> Thanks & Regards
> N.NagaSundaram
> --
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-- 
Sergey Filkin,
Researcher



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