[gmx-users] How to calculate the interaction energy between twomolecules

Riccardo Concu ric.concu at gmail.com
Fri Apr 15 10:51:16 CEST 2016

you should use the g_energy tool. Remember to include the .ndx file in your 
command line.

-----Original Message----- 
From: 李睿
Sent: Friday, April 15, 2016 10:23 AM
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: [gmx-users] How to calculate the interaction energy between 

Hello everyone,
I have a question to ask you to help
I have two molecules A and B in my simulation system, and they are very 
I want to know how to calculate their interaction energy after energy 
minimization in gromacs
Thank you
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