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

Mark Abraham mark.j.abraham at gmail.com
Tue Dec 25 02:04:56 CET 2012


g_analyze -h probably has relevant things to say

On Mon, Dec 24, 2012 at 10:56 PM, zifeng li <lizifeng7 at gmail.com> wrote:

> 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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