[AMBER] How to setup a QM/MM calculation in Amber

From: Sadaf Rani <sadafrani6.gmail.com>
Date: Fri, 27 Mar 2020 09:36:32 +0000

Dear Amber users
I want to find out the reaction mechanism of an enzyme by QM/MM method. I
need your suggestions on how to set up the system. Which QM software should
I couple with Amber and how? Could you please suggest me some literature on
it? I am new to this and will be doing it for the first time. Any of your
suggestions will really help me.

Thanks in advance.

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Received on Fri Mar 27 2020 - 03:00:02 PDT
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