[gmx-users] auto-correlation time
mark.j.abraham at gmail.com
Wed Jan 10 00:04:27 CET 2018
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.
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.
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