[gmx-users] pseudo-2d Ewald
akafali84 at hotmail.com
Fri Dec 28 17:47:43 CET 2012
My system has a slab geometry in the x-y plane. I want to use a pseudo-2d
Therefore I need to add a vacuum slab. I've some confusion about the height
of the vacuum slab.
As I understand from the paper, J. Chem. Phys. 111, 3155 (1999), the height
of the vacuum slab
is calculated as below:
delta_zvacuum >=3 max(x, y)
However in the explanation of 3dc in gromacs manual, the vacuum slab height
is taken as 3 times of
the system slab height.
Which one is true? If you can answer me, I'll be so glad.
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