Subject: Review, metal force fields.

From: Per-Ola Norrby <[email-masked]>
Date: Tue, 24 Aug 1999 08:40:35 +0200

Dear all,

	I'm currently trying to put together a review that will cover some
of the recent development on force fields for metal complexes.  In order
not to miss too much, I'll need some help.  I will include a list of
packages that are capable of treating coordination complexes (both
commercial and academic).  If you know of one such, could you mail me?  I
don't mind getting the same information many times, even if I have it
before.  If you have it, I'd like some of the following information (if you
don't have it, just send me the name of it!):

    *	Web address!  I'll want to point people to places where they can
	get up-to-dat information.  I may also put together a web site
	with these links.

    *	What force fields are included?  Are these "original" force fields,
	or modifications of other?  If the latter, do you know what the
	modifications are?

    *	Twists.  What's special about this package/force field?  Why
	would you choose it for a metal complex?

	For those of you who want information now, the following recent
review includes most of the older reviews I'm aware of: Peter Comba, Coord.
Chem. Rev. 1999, 182, 343-371.  I'd also want to point you to the book by
Frank Jensen, "Introduction to Computational Chemistry", John Wiley & Sons,
Chichester, England, 1999.  It's only three pages on metal force fields,
but the book is excellent.  Some of our own work in the area can be found
at http://compchem.dfh.dk/PeO

	Thanks in advance,

	Per-Ola Norrby

^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
 *  Per-Ola Norrby, Associate Professor
 *  The Royal Danish School of Pharmacy, Dept. of Med. Chem.
 *  Universitetsparken 2, DK 2100 Copenhagen, Denmark
 *  :::NEW::: tel. +45-35306506, fax +45-35306040
 *  Internet: [email-masked], http://compchem.dfh.dk/PeO/