[AMBER] the out file of qm/mm in amber

From: ÍõÕä <wangzhenzk.126.com>
Date: Wed, 10 Sep 2014 20:09:22 +0800 (CST)

Hi all,
   Recently, I want to optimize the molecule. I use the Amber to simulate the atom in MM region, and use the Gaussian to simulate the atom in QM region. But there is no MM atoms in the Log file of outfile , It just has the atom in QM region.
Thank you in advance.

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

______1.png
(image/png attachment: ______1.png)

Received on Wed Sep 10 2014 - 05:30:03 PDT
Custom Search