[gmx-users] g_energy statistical information

[Justin A. Lemkul]

Juliette N. wrote:
> Hello,
> 
> I have a quick question about g_energy output. Can anyone descrive how 
> the statistical info below are calculated?
> 
> In literature I see for instance electrostatics is reported as: XXX + / 
> -  Y. Where Y is deviation or something like that. Which of the RMSD or  
> Tot-Drift is giving Y ? 

Most of these terms are explained in the second paragraph of the g_energy -h 
output.  I believe RMSD is the standard deviation; check the code to be sure.

-Justin

> 
> g_energy:
> 
> Energy                      Average   Err.Est.       RMSD  Tot-Drift
> 
> 
> -- 
> Thanks,
> 
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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