Subject: CCL:MMX for systems with metal ions

From: "Yurii Kruglyak" <[email-masked]>
Date: Mon, 24 Mar 1997 08:23:41 +0200 (EET)

Alexander wrote:

Dear Colleagues,
users of PCModel,
I am very interested in how the MMX field
treat metal cations. Any hints or references would be greatly appreciated.
Other experience in using this force field would also be rather precious.
All answers will be summarized.

With best wishes for successful calculations
Alexander Bagatur'yants

********************************************************************
* Prof. Alexander A. Bagatur'yants   Phone: (007)-(095)-9362588    *
* Center on Photochemistry           Fax:   (007)-(095)-9361255    *
* Russian Academy of Science                (007)-(095)-4335325    *
* ul. Novatorov 7a, Moscow           E-mail  [email-masked] *
* 117421 RUSSIA                              [email-masked]  *
********************************************************************

Dear Alexander,

Dr. Victor Kuzmin, Dept of Molecular Electronics, Odessa State University
[email-masked]
and his group have developed DISMOL, MMX like soft specially designed for
molecular systems with metal ions.
Some initial references to this soft may be found in
Tim Clark, A handbook of computational chemistry, "Mir", Moscow, 1990, p. 376.
Sincerely,

--
 =======================================================================
 Professor Yuri Kruglyak

 Department of Molecular Electronics            [email-masked] 
 Odessa State University                        [email-masked]
 Dvoryanskaya St. 2                             FaxLine: +380-482-637785
 ODESSA 270100 UKRAINE                          Voice  : +380-482-603314 

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