[gmx-users] index file subgroups

[Justin A. Lemkul]

Elisabeth wrote:
> Hello,
> 
> I am trying to figure out how to plot or obtain the average values of 
> Gyration radius from different subgroups of index file. index file 
> prompts for a single group and I need to calculate the averages for all 
> subgroup by hand.
> 
> Is there any way to compute averages or plot all subgroups directly?
> 

Write a loop to call g_gyrate for each group you wish to analyze.

-Justin

> g_polystat -f *.trr -s *.tpr -o *.xvg -n *.ndx -w
> 
> Thanks,
> Regards,
> 

-- 
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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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