Re: [AMBER] QM/MM simulations with Amber/deMon2k

From: Andreas Goetz <>
Date: Fri, 8 Jul 2016 12:04:52 +0800

Dear Morteza,

There are currently no plans to support demon2k for qm/mm with the interface to external packages. I suggest you try one of the supported programs. If you really want to use demon2k and are confident with Fortran programming, send me an email off-list and I can show you what needs to be modified for Amber to support demon2k.

All the best,

Sent from my iPhone

> On Jul 8, 2016, at 05:19, Morteza Chehel Amirani <> wrote:
> Hello
> I'm wondering if deMon2k could be added to list of external packages for
> QM/MM simulations in Amber? or there is any instructions to use a new
> external package which is not currently supported to do QM/MM simulations.
> Thanks.
> Sincerely,
> Morteza
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Received on Thu Jul 07 2016 - 21:30:03 PDT
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