[gmx-users] g_energy

[Justin A. Lemkul]

Chih-Ying Lin wrote:
> Hi
> I use g_energy to calculate the total energy for the system.
> 
> what is the unit for the total energy?
> and, how could I convert it to kJ/mole ?
> 

Values are always given in the standard units given in the manual.  Energies are 
in kJ/mol.  This information is printed out to the energy.xvg file, as well.

-Justin

> 
> Thank you
> Lin
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-- 
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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