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,
--
========================================
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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