Subject: geometry minimization method

From: "pelagatti" <[email-masked]>
Date: Wed, 17 Mar 1999 17:01:04 +0100

Dear CCL'ers

I would like to know your opinion about the performances of geometry
minimization methods (particularly the semi-empirical ones) in the cases of
 molecules containing various eteroatoms, such as organophosphorus. Is PM3
better than AM1 or NDO's ? In this case, does it depend on the molecule
analyzed or is it a general rule ?

I will summarize your kind answers.

Thank you very much in advance

Stefano

Dr. Stefano Pelagatti
Istituto di ricerche farmacologiche Mario Negri
via Eritrea 62 
Milan, Italy
phone: +390239014499
E-Mail [email-masked]