[gmx-users] can we differentiate it?

[Albert]

Hello:

I've got a question on the membrane protein simulation in Gromacs.

I noticed that both water and ions can "wrap" between up leaflet and low
leaflet. I am just wondering can we restrain both water and ions in the
same leaftlet? eg: the one in the up leaftlet always in the up leaftlet
during the whole simulations?

thank you very much.

Albert