[gmx-users] Plotting data from g_spatial

Venkat Reddy venkat4bt at gmail.com
Thu Apr 18 08:43:08 CEST 2013

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

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