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

UniversitÓ degli Studi di Padova Dipartimento di Scienze Chimiche via Marzolo 1, 35131 Padova

Telefono: +390498275124 E-mail: silvia.carlotto_at_unipd.it _______________________________________________ AMBER mailing list AMBER_at_ambermd.org http://lists.ambermd.org/mailman/listinfo/amber