[gmx-users] auto-correlation time

[Mark Abraham]

Hi,

You can calculate the autocorrelation time of an observable, but not of a
whole simulation. Tools like gmx energy and gmx analyse have such
functionality, if you identify an observable of interest.

Mark

On Sun, Jan 7, 2018 at 2:33 PM Netaly Khazanov <netalyk at gmail.com> wrote:

> Hi All,
> I've performed REMD simulation and now I am wondering how to calculate
> auto-correlation time of the simulation in order to be sure that it is
> large than replica exchange frequency.
> Any help will be appreciated.
> Netaly
>
>
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> Netaly
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