[gmx-users] I have a problem with my biphasic system

Ali Alizadeh ali.alizadehmojarad at gmail.com
Thu Nov 1 22:49:28 CET 2012

Dear All usres

I have a system that contains water , methane and propane in 240 k and 300

My simulation box is rectangular .

Water film is in middle of my box. Methane and propane is around it.

I have a problem, my methane and propane molecules do not diffuse in water
film(even my methane molecules),

I do simulation, 30 nano second

methane molecules = 834
propane molecules = 92
water molecules = 1656

These links is related to md.mdp and .mdp for energy minimization



Ali Alizadeh

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