[gmx-users] g_rdf

Christopher Neale chris.neale at mail.utoronto.ca
Wed Oct 31 22:07:48 CET 2012

Dear Ali:

I don't think that you are re-posting the same question often enough. 
Perhaps you should repost more often? 4 identical posts in 5 hours might not be enough to get a reply....

Seriously though, we all saw your message.


-- original message(sssss) --

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


Ali Alizadeh

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