[gmx-users] does error estimate given by g_energy considering auto-correlation?

zifeng li lizifeng7 at gmail.com
Mon Dec 24 22:56:33 CET 2012


Hi, Gromacs users,

I'm using Gromacs 4.5.4 and wondering how is the "Err.Est" given by
g_energy calculated? Is it roughly


standard deviation/ sqrt N

N is the independent part in trajectory?

Thanks & Merry Chritmas!

best

Zifeng



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