From dave %-% at %-% wh.bayer.com Fri Aug 18 08:33:55 1995 Received: from wh.bayer.com for dave:~at~:wh.bayer.com by www.ccl.net (8.6.10/950810.1506) id IAA19053; Fri, 18 Aug 1995 08:33:13 -0400 From: Received: from mrcs1 ([140.250.41.24]) by wh.bayer.com (8.6.12/8.6.12) with SMTP id IAA13231 for ; Fri, 18 Aug 1995 08:30:22 -0400 Received: by mrcs1 (5.64/X1.00) id AA18945; Fri, 18 Aug 95 08:30:38 -0400 Date: Fri, 18 Aug 95 08:30:38 -0400 Message-Id: <9508181230.AA18945 # - at - # mrcs1> To: chemistry- at -www.ccl.net Subject: Re: Mg++2 parameters 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 ---------------------------------------------------------------- David Hartsough dave-!at!-wh.bayer.com Structural Chemistry Bayer Research Center 400 Morgan Lane Phone: (203)937-2982 West Haven CT 06516 Fax: (203)937-2650 ---------------------------------------------------------------- The opinions expressed herein are solely those of the author and are not necessarily those of Bayer ----------------------------------------------------------------