[gmx-users] RMSD and fluctuation

Berk Hess gmx3 at hotmail.com
Wed Dec 14 11:04:19 CET 2005

>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 
>so what exactly is fluctuation?

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


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