[gmx-users] van hove correlation function

[Ipsita Basu]

Hi,
I have calculated van hove correlation function of lipids using g_vanhove
tool. Now I want to calculate the non gaussian parameter of this function
which is defined as:
 α2(*t*) = 3 [image: left angle bracket]*r*4(*t*) [image: right angle
bracket]/5 [image: left angle bracket]*r*2(*t*) [image: right angle bracket]
2 – 1
where [image: left angle bracket]*r*2(*t*) [image: right angle bracket] is
the MSD. But the problem is that MSD is directly calculated from the g_msd
tool, so how to calculate [image: left angle bracket]*r*4(*t*) [image:
right angle bracket] from MSD? And if there is any way to calcualte this
parameter directly from the g_vanhove tool?
Please help.
-- 
Ipsita Basu
Research Fellow
c/o : Dr. Chaitali Mukhopadhyay
Rajabazar Science College
92 APC Road
Kolkata - 700009