CCL: reparamaterize semi-empirical PM3 parameters

[Thomas Patko <tpatko[a]gmail.com>]

 Have you already tried PM6 for your system?  I should work out of the box
 for nearly all atoms.

http://openmopac.net/MOPAC2009.html

Cheers,

Thomas

On Tue, Aug 11, 2009 at 5:43 AM, S Bill S_Bill36*_*yahoo.co.uk <owner-chemistry::ccl.net> wrote:

Sent to CCL by: "S  Bill" [S_Bill36[]yahoo.co.uk]
Dear CCL
I would appraciate any references/comments/recommadtions about how to learn to reparamaterize semi-empirical PM3 parameters for any ion (for example,Ca2+). In addition to any software free or cheap for this process.
Thanks in advance.
S. Bill



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