Subject: Experience with QM/MM CHARMM codes

From: [email-masked] (Howard Alper)
Date: Thu, 20 Feb 1997 17:57:55 -0800

Hello,

  I was wondering if anyone in CCL-land had experience with both semi-empirical
and ab-initio versions of CHARMM's combined Quantum/Classical (QM/MM)
forcefield code (for example versions c24b and c25a of CHARMM), both with
respect to the basic behavior of the code, and the correctness of the results
compared to experiment or theory.  Thanks.  As always, I will sunmmarize
the responses for the list.

  Howard

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