AMBER Archive (2009)

Subject: [AMBER] QM/MM types.

From: ros_at_servidor.unam.mx
Date: Thu Aug 13 2009 - 10:49:02 CDT


Hello to all!
I was wondering.
What are the main differences between the QM/MM methods
found in AMBER, Q-Chem, Car-Parinello and (not being exactly the same)
Gaussian's ONIOM?

When you should use one or the other?

Thanks to all!

Rodrigo
Instituto de Quimica
Universidad Nacional Autonoma de Mexico

-------------------------------------------------
www.correo.unam.mx
UNAMonos Comunicándonos

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