[gmx-users] simulation of water gradient across membrane protein

[Phuong Tran]

Hi all,

I was wondering if I can use the computational electrophysiology package in
Gromacs with the double membrane setup to simulate a system that has
different numbers of waters in and out. This would need to use the grand
canonical ensemble and the package is for ions only, and I don't know
whether it can be applied/modified for water or not.
Thank you,
Phuong