[gmx-users] Using PME with Slab Boundaries

[Sanim Rahman]

Hello,

I was attempting to run an equilibration on my system that has slab
boundaries. I am using 3dc Ewald Geometry and PME. I am also using PBC in
the x,y,z dimensions.

During grompp, I received the following warning:

*WARNING: With PME and ewald_geometry = 3dc you should use pbc = xy*

I have seen simulations using PBC in all three dimensions with slab
boundaries with PME. What are the consequences of running a simulation with
slab geometry and pbc in all three dimensions with PME?

Regards,
Sanim Rahman