Water RDFs (fwd)

• To: Water Science Network <water@gibbs.oit.unc.edu>
• Subject: Water RDFs (fwd)
• From: Water Science Network Administrator <wsn-adm@mmlds1.pha.unc.edu>
• Date: Mon, 29 May 1995 10:27:45 -0400 (EDT)

Sender: rpratt@slate.Mines.Colorado.EDU (PRATT RONALD M )
Subject: WSN: Water RDFs and thermodynamic properties


Greetings!  This is my first posting on this board; I hope I sent it to the
right address.  My question is, can the atomic, i.e., O-O, O-H, and H-H
distribution functions for water which are available from MD simulation
be used to calculate any thermodynamic properties, like can be done for 
simple Lennard-Jones sytems?  I have never been able to locate any
equations or record of anybody doing this.  I would appreciate any insight
anyone can give me.

Thanks, rpratt@mines.colorado.edu

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