[gmx-users] Fw: g_energy

Thomas Koller koller-thomas at gmx.de
Tue May 17 23:13:01 CEST 2011

Short reminder. I am lloking forward to your answer.


From: Thomas Koller 
Sent: Monday, May 16, 2011 11:37 PM
To: gmx-users at gromacs.org 
Subject: g_energy


the g_energy tool in Gromacs 4.0.7 provides calculation of viscosity (-vis) and surface tension (-o surften):

a) Both, the shear and bulk viscosity are calculated with -vis tool. What are the equations for calculating them? In the manual, there is only the equation for the shear viscosity. Are these values reliable?

b) How is the surface tension calculated, is it also a reliable method?

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