Subject: MM parameters from ab initio

From: Didier MATHIEU <Didier.Mathieu=at=cea.fr>
Date: Mon, 02 Jun 2003 16:52:51 +0200

Hello,

Is there any available program that could fit intramolecular force field
parameters (to be used in a standard molecular mechanics energy
expression) from the equilibrium geometry and cartesian force constants
of the system ?
Or more generally, any tools to derive a specific (non-transferable)
intramolecular force field from ab initio data ?
Thanks

--
Didier Mathieu
CEA - Le Ripault
BP 16
37260 Monts
Didier.Mathieu=at=cea.fr
Tel +33 02 47 34 41 85
Fax +33 02 47 34 51 42