AMBER: QM/MM and unpaired spin

From: Markus Kaukonen <>
Date: Mon, 1 Dec 2008 09:30:02 +0200

Dear Amber,

Is there at the moment (Amber10) a way to run a Amber build in QM/MM
simulation with odd number of electrons in the QM system?

Terveisin, Markus

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Received on Fri Dec 05 2008 - 18:19:53 PST
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