[AMBER] Regarding QM-MM_MD setup calculation:

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From: Kankana Bhattacharjee via AMBER <amber.ambermd.org>
Date: Wed, 18 Dec 2024 11:44:47 +0530

Dear AMBER users,

I would like to simulate pyrrole-water system using QM-MM-MD setup.
Suppose, I have pyrrole-water coordinate/pdb file. So, how can I proceed
building up the QM-MM-MD setup using amber ?
Your suggestions would be highly appreciated.

Thanks & Regards
Kankana Bhattacharjee
Ph.D. Scholar
Department of Chemistry
Ashoka University
Sonipat, Haryana
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Received on Tue Dec 17 2024 - 22:30:02 PST