[gmx-users] average radius of gyration

[Mark Abraham]

Q. Y. HUAN wrote:
> 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?

Start by reading g_gyrate -h, then examine your gyration.xvg

Mark