[gmx-users] Units of Gibbs free energy from g_sham
venkat4bt at gmail.com
Thu May 1 11:58:39 CEST 2014
Thank you Justin for the quick reply.
On Thu, May 1, 2014 at 3:15 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
> 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
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With Best Wishes
Venkat Reddy Chirasani
Laboratory of Computational Biophysics
Department of Biotechnology
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