[gmx-users] rerun with Coul-LR energy groups in GROMACS2018

Sergio Perez sperezconesa at gmail.com
Mon Sep 3 23:16:27 CEST 2018

Dear GMX community

I have been trying to do a rerun on a trajectory produced in GMX2018 with
energy-groups. But unfortunately I only get the SR interaction energies. I
do not know what .mdp settings should I put in the new tpr in order to get
this energy. I have searched the list and most posts I have found are
regarding old versions or do not give exact instructions.

In addition, are energies what is commonly known as interaction energies:

I also would like to know if these energy are correct if A and/or B have a
net charge.

Thank you all in advance!

Sergio Pérez-Conesa

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