[gmx-users] 2-D liquid

Cai caizkun at gmail.com
Wed Oct 15 06:06:24 CEST 2014

Hi users,

I am trying to simulate 2-d liquids interacting with simple potential like
Lennard-Jones potential.

Can it be done by specifying "pcoupletype = semiisotropic" in the .mdp
file? I mean enforcing a normal pressure in x-y direction while very high
pressure in z direction to constrain the motion in z.

Or do I need to define walls in the z direction?

Does anyone have similar experience? Your help are highly appreciated!


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