[gmx-users] Plotting data from g_spatial

[Venkat Reddy]

Dear users

I have a question regarding the cube file output we get from g_spatial
analysis. My system comprises of hundreds of ionic liquids (composed of
cation and anion). If I would like to see the spatial distribution of
anions around cation, how do I get an average distribution. E.g, the way I
am using it now, spatial distribution of all the anions in simulation box
is shown, which is very inconclusive. I cannot specify a particular set of
cations and anions, as they separate over time.

Please help


-- 
With Best Wishes
Venkat Reddy Chirasani
PhD student
Laboratory of Computational Biophysics
Department of Biotechnology
IIT Madras
Chennai
INDIA-600036