[gmx-users] Electrostatic Potential in confinment

[Alireza Moradzadeh]

Dear All,

I am using GROMACS to study Electric Double Layer in confinement. I add 3
times of slab length as vacuum to my system in the z-direction and I use
PME with Ewald-geometry :3dc to treat electrostatic. My walls are
oppositely charged. Just to give an idea of what I am doing.

I use gmx potential to calculate electrostatic potential across the
channel, but in the middle part of channel, where it is supposed to be bulk
fluid, therefore, electrostatic potential should be constant I saw a linear
drift. instead of a plain line. Can anybody give me an idea what can be
wrong in my simulation.

Best Regards,
Alireza Moradzadeh