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

Phuong Tran tranphuonguns at gmail.com
Tue Jul 2 10:36:05 CEST 2019


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


More information about the gromacs.org_gmx-users mailing list