Subject: Re: Mg++2 parameters

From: <[email-masked]>
Date: Fri, 18 Aug 95 08:30:38 -0400

I recently asked a question about MM parameters for 
Mg++2. Many thanks to all who responded.  The 
consensus is that the best are in:

 J. Aqvist, Ion-Water Interaction Potentials Derived from Free Energy
 Perturbation Simulations, J. Phys. Chem. (1990), 94, 8021-8024.

However, be warned if you do a CAS search on Aqvist
(as I did at the start of all this) the name is mispelled
as Aaqvist for this particular paper, proving once again that 
our answers are only as good as our databases.....

p.s.  If anyone from CAS is watching, feel free to 
      correct this error.
                                      Dave

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David Hartsough                       [email-masked]
Structural Chemistry
Bayer Research Center
400 Morgan Lane                       Phone: (203)937-2982
West Haven CT 06516                   Fax:   (203)937-2650
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The opinions expressed herein are solely those of the author
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