WSN: Radial Distribution of water

• To: Water Science Network <water@gibbs.oit.unc.edu>
• Subject: WSN: Radial Distribution of water
• From: Water Science Network Administrator <wsn-adm@mmlds1.pha.unc.edu>
• Date: Thu, 11 May 1995 13:00:14 -0400 (EDT)

From: longshot@chem.duke.edu (Brad Isbister)

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

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