QM/MM force fields

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QM/MM force fields

From: Henning Heiberg-Andersen <Henning.Heiberg-Andersen_at_email.domain.hidden>
Date: Mon, 30 Aug 2004 16:09:50 +0200 (CEST)

Dear ADF users,

Do any of you use the QM/MM program for MM minimization
of pi-conjugated systems? I intend to do this kind of
simulation, and is therefore interested in a high quality
force field (e.g. Brenner type) file.

Best regards,

Henning Heiberg-Andersen
Received on 2004-08-30 16:10:04

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