[AMBER] QMS-QMMM

From: Odin Zeus <alchemist1360.yahoo.com>
Date: Wed, 1 Jun 2016 03:51:50 +0000 (UTC)

Hi every body,
Dose anybody using the QMS program to do qmmm calculations with amber/gaussian?
Especially the version 12 of ambertools or higher.
http://www.qms-program.com/

Any suggestion to do qmmm calcs with gaussian/amber?????The built in interface of the qmmm in the ambertools is not a good choice for the structure optimization and I did not get good results with it.

Thanks in advance,Alchemist
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue May 31 2016 - 21:00:02 PDT
Custom Search