Subject: CCL: QM/MM combined potential

From: [email-masked] (Christoph Koelmel)
Date: Wed, 14 Sep 94 09:32:31 -0700

I am another developer of a QM/MM method, coupling
 QM = MOPAC/AMPAC (semiempirical HF),
      Turbomole (ab-initio HF,MP2),
      DMol (Density functional)
with
 MM = Discover

for single point energy calcs/geometry optimizations. 

It is interfaced with Insight.

Some more references that might be useful :

Singh, U.C. / Kollman, P.A.  J. Comp. Chem. 7, 718ff (1986)
Gao, J. / Xia, X.  Science, 258, 631ff (1992) [more references
in there]

Christoph Koelmel

[email-masked]
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