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

[Riccardo Concu]

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

-----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 
twomolecules


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 
close.
I want to know how to calculate their interaction energy after energy 
minimization in gromacs
Thank you
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