[gmx-users] energygrp_excl and grompp warning

[Justin A. Lemkul]

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
> 

-- 
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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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