Subject: Electrostatic Potential Maps

From: Joseph Eyerman <[email-masked]>
Date: Wed, 02 Apr 1997 13:57:56 -0500

I would appreciate any suggestions on programs which can
calculate and display the difference in the electrostatic potential
maps between two molecules.  For example, given the electrostatic
potential map for benzene and the ESP map for pyridine, return
a map which shows the difference in the region of the pyridine
nitrogen atom.  The molecules are superimposed before their maps are
generated and the ESP maps are either on the solvent-accessible
surface or at a given electron density.  It would be useful if the
program could work with output from Gaussian and/or MOPAC.

    Thanks in advance for any suggestions!

                                Joe Eyermann
                                DuPont Merck Pharmaceuticals

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