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
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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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