[gmx-users] Technqiues for Applying Assymmetric Ion Concentrations?

[Sanim Rahman]

Hello Users,

I am planning to do a bilayer simulation with asymmetric ion concentrations
using slab boundaries. I am trying to modify the concentration of each
ionic species on each side of the bilayer, however, I am struggling to find
a technique that will allow me to effectively manipulate the concentrations
of each side of the bilayer. Are there any suggestions on how to do this? I
would imagine splitting the system in half at the hydrophobic core and then
using the genion command for each half would do the trick but I am unaware
of any commands that will allow me to split the system as such.

The membrane system that I am using is from CHARMM-GUI.

I will truly appreciate your input.

Regards,
Sanim Rahman