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

李睿 moonfine at mail.sdu.edu.cn
Fri Apr 15 10:30:33 CEST 2016

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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