[gmx-users] Re: FEP of ion binding protein

[Justin Lemkul]

On 5/27/13 10:10 AM, maggin wrote:
> Hi, Steven,
>
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/free_energy/index.html
>

Note that FEP (as requested in the original post) and BAR (used in the tutorial) 
are different methods for evaluating the free energy differences between states.

-Justin

> and there is one paper"Good Practices in Free-Energy Calculations  J. Phys.
> Chem. B, 2010, 114 (32), pp 10235–10253"
>
> Hope this data could help you!
>
> maggin
>
>
>
> --
> View this message in context: http://gromacs.5086.x6.nabble.com/FEP-of-ion-binding-protein-tp5008557p5008559.html
> Sent from the GROMACS Users Forum mailing list archive at Nabble.com.
>

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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