[gmx-users] Error in energy group exclusion

[Peter C. Lai]

On 2011-05-23 10:54:20AM -0500, bipin singh wrote:
> Hello users,
> I am getting the following warning during the grompp
> ---------------------------------------------------------------------------------
> WARNING 1 [file md.mdp]:
>   Can not exclude the lattice Coulomb energy between energy groups
> -----------------------------------------------------------------------------------
> 
> I am providing the following energy groups and  energy exclusion group
> in my mdp file
> energygrps=Protein SOL
> energygrp_excl=Protein Protein SOL SOL
> 
> Please suggest me, why I am getting the above error and how to get rid
> of this error.

Don't use PME? You cannot do electrostatic exclusions between groups under
the PME scheme.

See also
http://lists.gromacs.org/pipermail/gmx-users/2011-May/060993.html
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Peter C. Lai                 | University of Alabama-Birmingham
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