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

[Justin Lemkul]

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

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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
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University of Maryland, Baltimore
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jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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