[gmx-users] entropy calculation

Justin Lemkul jalemkul at vt.edu
Wed Mar 5 19:56:41 CET 2014

On 3/5/14, 8:58 AM, 申昊 wrote:
> Hello everyone!
> How to calculate the conformational entropy of protein or the entropy induced by solvent in gromacs?
> Are there any tools to deal with entropy?

Yes, read about g_anaeig in the manual.



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


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