[gmx-users] lattice Coulomb energy between energy groups

[Gavin Melaugh]

Hi all

I have set up a simulation with PBC using PME and specify an energy
group enclusion involving some virtual sites and a hydrocarbon chain.
i.e. hydrocarbon chain is one energy group and the virtual sites
constitute the other group. Grompp generates the following warning

"Can not exclude the lattice Coulomb energy between energy groups"

I have checked the mailing list and the manual but there doesn't seem to
be any concise answers. Given the fact that both groups are not charged
is it O.K. to ignore this warning.

Many Thanks

Gavin