[gmx-users] error estimate

[dina dusti]

Dear GROMACS Specialists,

I have doubt about these error estimates for Rg and Rg(x,y,z). May I ask you to say me why is the difference between them. for example for Rg is 0.0002 and for others is 0.00x?!
And are my error estimates true?

Please help me.


                                      std. dev.    relative deviation of
                       standard       ---------   cumulants from those of
set      average       deviation      sqrt(n-1)   a Gaussian distribition
                                                      cum. 3   cum. 4
SS1   1.953768e+00   1.431892e-02   3.347224e-05       0.233    0.119
SS2   1.593850e+00   4.690101e-02   1.096369e-04       0.016   -0.036
SS3   1.593227e+00   4.660166e-02   1.089371e-04       0.010   -0.044
SS4   1.596745e+00   4.621280e-02   1.080281e-04       0.042   -0.052

Set   1:  err.est. 0.000225069  a 0.300587  tau1 7.77568  tau2 190.591
Set   2:  err.est. 0.00161575  a 0.700462  tau1 336.841  tau2 1387.53
Set   3:  err.est. 0.00145312  a 0.980246  tau1 525.314  tau2 954.829
Set   4:  err.est. 0.00165719  a 0.728641  tau1 312.259  tau2 1763.19


Thank you very much in advance.
Best Regards
Dina
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