Re: [AMBER] Questions about QM/MM simulations (Goetz, Andreas)

From: 马芳芳 <mafangfang0411.mail.dlut.edu.cn>
Date: Fri, 7 May 2021 16:48:21 +0800 (GMT+08:00)

Dear Dr. Goetz,

Thanks for your kind help! I learned a lot. I also want to know whether the periodic boundary conditions have any effect on the results in my reaction system? Do I need to use droplets in the QM/MM simulations of my reaction system?

Best wishes and stay safe!

Fangfang Ma
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri May 07 2021 - 02:00:02 PDT