[gmx-users] can we differentiate it?

Tsjerk Wassenaar tsjerkw at gmail.com
Sun Jan 26 10:44:02 CET 2014

Hi Albert,

Turn off PBC in the z-direction, or introduce a vacuum layer and set the
compressibility in the z-direction to zero.



On Sun, Jan 26, 2014 at 9:29 AM, Albert <mailmd2011 at gmail.com> wrote:

> 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
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Tsjerk A. Wassenaar, Ph.D.

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