[gmx-users] Units of Gibbs free energy from g_sham

Justin Lemkul 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


More information about the gromacs.org_gmx-users mailing list