Actually when I open autocorr.xvg I can see from data/feature
extraction/ the last set is S1295 (N=101, autocorr.xvg) which means
they are 1296 graphs each with poor statistics start at 1 and coming
down. To have a ACF for a system I expect to get one graph with good
statistic... I hope I make it clear now.
What did you extract with g_traj? All the coordinates of all the molecules?
The command line you gave would be helpful here. It would seem that 1296/216 =
6, therefore (and this is just a guess) then g_analyze is trying to calculate
some sort of ACF between all coordinates: x-x, y-y, z-z, x-y, x-z, y-z. That
way, you'd be getting these ACF's for each individual molecule. Again, just a
guess.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
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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