[AMBER] need QMMM interface for TURBOMOLE

From: 陈金峰 <201612095.mail.sdu.edu.cn>
Date: Thu, 3 May 2018 07:38:09 +0800 (GMT+08:00)

Hello，
I used to major in the QM/MM calculations，and recently I got amber18. And I have seen that you can provide QM interface for the users.So because I used to use TURBOMOLE and charmm for QMMM. Could please offer a interface between amber18 and TURBOMOLE to achieve QMMM calculations?
Thank you.
Best regards.





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Received on Wed May 02 2018 - 17:00:03 PDT