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 -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
