[gmx-users] Units of Gibbs free energy from g_sham
jalemkul at vt.edu
Thu May 1 11:47:36 CEST 2014
On 5/1/14, 5:38 AM, Venkat Reddy wrote:
> Dear all,
> What is the unit of dG calculated from g_sham? Is it J/K/mol or KJ/K/mol?
Neither. It's kJ/mol, as printed in the output .xpm file.
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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