[gmx-users] energygrp_excl and grompp warning
vvchaban at gmail.com
Tue May 18 22:43:14 CEST 2010
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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