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

[Venkat Reddy]

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
>
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> Justin A. Lemkul, Ph.D.
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-- 
With Best Wishes
Venkat Reddy Chirasani
PhD student
Laboratory of Computational Biophysics
Department of Biotechnology
IIT Madras
Chennai
INDIA-600036