[gmx-users] RMSD and fluctuation

[Berk Hess]

>From: "ARGYRIOS KARATRANTOS" <axk47 at psu.edu>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: gmx-users at gromacs.org
>Subject: [gmx-users] RMSD and fluctuation
>Date: Tue, 13 Dec 2005 18:19:22 -0500 (EST)
>
>using the g_energy and calculating the total energy of your system ,
>
>there is also RMSD and fluctuation . The RMSD must be root mean square 
>deviation
>so what exactly is fluctuation?

The fluctuation is the rmsd with a linear fit.
The slope of the fit ios given by the drift.

Berk.