VMD-L Mailing List

From: Xijun Wang (xijunw_at_gmail.com)
Date: Wed Dec 29 2010 - 17:57:56 CST

Hello,

Would someone give me some hints to generate the angular or spatial
correlation function with VolMap tool?

I want to generate a probability density map: the probability of
finding the solvent molecule around a solute molecules. It is called
"atomic density map" in literature such as JACS, 126, 11462(2004).
They were generated by the Volmap Tool of VMD. But after carefully
reading the manual/tutorial and seraching in the mail-list, I still do
not know how to do that. In the GUI of VolMap, there is only one place
to input the "selection", for example, to input "water and name OH2"
as a selection, but how can I input the selection of solute molecule?

Any suggestion is appreciated.

Xijun Wang 

-- 
Department of Chemistry and Biochemistry
Concordia University
7141 Sherbrooke West, Montreal, Quebec H4B 1R6