Vitaly Chaban wrote:
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?
Have a look here:
http://lists.gromacs.org/pipermail/gmx-users/2006-May/021703.html
-Justin
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
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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