[gmx-users] please help

[Saheen Shehnaz]

Dear all

While calculating the diffusion constant using Green-Kubo equation using
the command : g_velacc -acflen 1001 -nonormalize -mol -n index.ndx -s
run.tpr followed by g_analyze -f vac.xvg -integrate we get three values as
average, standard deviation and SD sqrt(n-1).

Kindly tell me which of the value am i supposed to take for the calculation
of diffusion constant.
Is it the sqrt(n-1) values ??

Thanks
SSB