[gmx-users] How long run should be enough for Free Energy Calculation of a protein?

Justin Lemkul jalemkul at vt.edu
Wed Oct 15 13:34:39 CEST 2014



On 10/14/14 11:37 PM, Batdorj Batsaikhan wrote:
> Dear gmx-users,
>
> Hello, I am working on free energy calculation of a protein. How long run should be enough for Free Energy Calculation of a protein?
>

How is it that you're attempting to calculate this quantity?

-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 629
University of Maryland, Baltimore
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Baltimore, MD 21201

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

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