[gmx-users] Normal mode analysis of pure water

Berk Hess gmx3 at hotmail.com
Tue Oct 20 16:00:34 CEST 2009

You could get better help if you tell us what information you want to get out of this analysis.

NMA gives you a harmonic description of the potential energy around a minimum of the system.
For water the minimum is ice, so you would get the modes of a certain ice state.


Date: Tue, 20 Oct 2009 19:20:19 +0530
From: simoniitchem at gmail.com
To: gmx-users at gromacs.org
Subject: [gmx-users] Normal mode analysis of pure water

Hi Berk,
             You mentioned that standard NMA techniques will not work for the liquid water  system. Could you suggest the alternatives then?
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