[gmx-users] average radius of gyration

[Q. Y. HUAN]

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.