[gmx-users] average radius of gyration
Q. Y. HUAN
scottiehuan at yahoo.com
Mon Nov 24 05:10:30 CET 2008
Dear all,
I did g_gyrate and I obtained a gyration graph, then i did g_analyze with the following command:
g_analyze -f gyration.xvg -av
Then I obtained a set of values as follow:
Read 4 sets of 201 points, dt = 10
std. dev. relative deviation of
standard --------- cumulants from those of
set average deviation sqrt(n-1) a Gaussian distribition
cum. 3 cum. 4
SS1 1.118544e+06 4.723966e+04 3.340348e+03 0.279 -0.187
SS2 7.170712e+05 3.874540e+04 2.739714e+03 0.144 0.006
SS3 6.360595e+05 3.469453e+04 2.453274e+03 0.457 -0.011
SS4 5.754301e+05 2.800850e+04 1.980500e+03 -0.060 -0.172
So, my question is, is it I sum up all the 4 set of average value and divide by 4 and the answer will be my final average value of gyration?
Thanks for the comments.
QIU YI HUAN
DEPARTMENT OF CHEMISTRY,
FACULTY OF SCIENCE,
UNIVERSITY PUTRA MALAYSIA,
MALAYSIA.
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