Subject: WANTED: Radial Distribution of water

From: [email-masked] (Brad Isbister)
Date: Wed, 3 May 95 15:30:29 -0400

World at large:

I am running simulations of solvated small molecules (analgesics &
carbohydrates) with AMBER 4.0.  With the help of a great plug-in courtesy
of Chris Chipot, I am calculating the RDF around various solute atoms.

This is all well and good, but I need to compare the results with the radial
distribution for pure water.  I've seen plots in many different places, but I
need the actual data to run through GNUPlot, superimpose with my own results,
etc.

Does anyone have g(r), r in electronic form?  Any references to a paper with
the data that I can type in by hand :( ?

Thanks for your help and suggestions,

-Brad Isbister
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Brad Isbister				Duke University
E.J. Toone group			Department of Chemistry
[email-masked]			DukeChem Home Page
http://www.chem.duke.edu/~longshot	http://www.chem.duke.edu/