AMBER Archive (2009)Subject: [AMBER] pressure tensor components
From: Silvia Carlotto (silvia.carlotto_at_unipd.it)
Date: Thu Dec 10 2009  07:12:51 CST
Dear Amber users,
I am trying to compute the surface tension of an interface
The formula for the surface tension,
gamma, that I want to use is the following:
gamma=(Lz/2)[<Pzz>0.5(<Pxx>+<Pyy>)]
Pzz is the normal pressure tensor component (average value for the entire
simulation) and Pxx, Pyy are the lateral
pressure tensor components.
Is it possible to obtained these values directly from the simulation?
thanks for the help!!!!
silvia

Silvia Carlotto, Ph.D
Università degli Studi di Padova
Dipartimento di Scienze Chimiche
via Marzolo 1, 35131 Padova
Telefono: +390498275124
Email: silvia.carlotto_at_unipd.it
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