[gmx-users] Free Energy Calculation
mark.abraham at anu.edu.au
Thu Sep 30 15:20:04 CEST 2010
----- Original Message -----
From: Петр Попов <magistrpetrus at gmail.com>
Date: Thursday, September 30, 2010 22:39
Subject: [gmx-users] Free Energy Calculation
To: gmx-users at gromacs.org
> Hello, dear users!
> I want to study different components in total free energy.
> Could you tell me in what gromacs program and in what place exactly force and energy are calculated?
I think your question is too general. I don't know whether you've already done a calculation, are planning one, or want to look at source code. Please ask a more specific question.
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