[gmx-users] Re: FEP of ion binding protein
jalemkul at vt.edu
Tue May 28 04:20:39 CEST 2013
On 5/27/13 10:10 AM, maggin wrote:
> Hi, Steven,
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.
> 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!
> 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.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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