[gmx-users] the result of the free energy

[Justin Lemkul]

On 4/10/14, 10:40 AM, jane wrote:
> Hi all,
> when i calculate the free energy of a molecule, the result is as the picture
> . i do not understand the true meaning. what is the relationship between
> dH/d(lambda) the .xvg file got and the free energy ? and what is the meaning
> of the lambda ? thank you in advance.
> <http://gromacs.5086.x6.nabble.com/file/n5015785/Screenshot-2.png>
>

http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/free_energy/index.html

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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