From: Gustavo Seabra via AMBER <amber.ambermd.org>
Date: Fri, 15 Jul 2022 15:21:04 +0000

Hi everyone,

I wonder if anyone here could answer this enquiry...

Thanks in advance!
Gustavo Seabra.
From: Gustavo Seabra <gustavo.seabra.gmail.com>
Sent: Monday, July 4, 2022 8:00:02 PM
To: Amber Developers List <amber-developers.ambermd.org>
Subject: MOPAC
Hi everyone,
I got this inquiry from an Amber user, and I wonder if anyone here know of such development happening:
Hey ... now that MOPAC2016 is open source, do you know if there are any plans to get it implemented for QM/MM in AMBER?  I'm very interested in using PM6-D3H4 for SEQM/MM dynamics, but the only code that has it right now is NAMD.  All our tooling at my new company is around AMBER, so it would be great if we could get MOPAC integration for QM/MM.
So, is there anyone working on that?
All the best,
Gustavo Seabra.
AMBER mailing list
Received on Thu Aug 04 2022 - 13:34:23 PDT
Custom Search