Hi Vijay,
I would recommend full anisotropic coupling during bilayer simulations, unless you believe that semi-isotropic is neccessary for your system eg. you see rapid collapse of one side of the simulation box.
Regards,
Callum
________________________________________
From: amber-bounces.ambermd.org [amber-bounces.ambermd.org] on behalf of Vijay Manickam Achari [vjrajamany.yahoo.com]
Sent: 12 December 2013 04:20
To: Amber mailing List
Subject: [AMBER] The use of ansiotropic & semi-anisotropic pressure couplings in bilayer simulation.
I have posted this earlier (7th Dec), but some how missing from visibility. Please accept this post.
I wanted to get some explanation on the usage of anisotropic and semi-anisotropic pressure couplings in the bilayer simulation.
What are the conditions that expecting us to use anisotropic and semi-anisotropic pressure couplings during the bilayer simulations?
Regards
Vijay Manickam Achari
(Phd Student)
Chemistry Department,
University of Malaya,
Malaysia
vjramana.gmail.com
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Received on Tue Dec 17 2013 - 10:00:02 PST
