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.
Berk
Date: Tue, 20 Oct 2009 19:20:19 +0530
From: [email protected]
To: [email protected]
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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