[gmx-users] g_rdf

Ali Alizadeh ali.alizadehmojarad at gmail.com
Wed Oct 31 15:33:48 CET 2012

Dear All users

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.

My simulation box is symmetric,

1- I used g_rdf program for . My result is exotic. My g(r) in profile do
not reach to 1 . Why ?

2- I test my number density profiles(from g_density) but they do not
correct result because when i

calculate number of my molecules by multiplying volume to average number
density, i can not take the same number of my particle,

Where do i mistake?


Ali Alizadeh

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