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

[Ali Alizadeh]

Dear All usres


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

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

http://trainbit.com/files/1132999884/md.mdp
http://trainbit.com/files/2132999884/minim.mdp


-- 
Sincerely

Ali Alizadeh