[gmx-users] energygrp_excl and grompp warning

[Vitaly Chaban]

Hi all,

I try to use the energy exclusion keyword in the MDP file:

energygrp_excl           = CNT CNT

and got the warning -

WARNING 2 [file aminoacids.dat, line 1]:
Can not exclude the lattice Coulomb energy between energy groups

What can be the source of this issue?


BTW, there are only LJ interactions between CNT and CNT according to the
topology file. Thus this warning seems to be meaningless anyway.

Dr. Vitaly Chaban
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