[gmx-users] air-water-interface

Nawel Mele nawel.mele at gmail.com
Mon May 13 12:10:27 CEST 2013

Hi all,

I am performing a simulation of protein at air/water interface.

For create an air-water interface I just expand the box in the z direction.
So,aAfter minimization we can noticed that water molecules moved out of
bulk water in the z direction.

Why you just need to expand the z-axis for obtain this interface?? I don't
understand the mechanism.

Thanks a lot for your answer

*Mlle* Mele Nawel
Master 2 In Silico Drug Design
University of Paris Diderot/Strasbourg

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