[AMBER] how to add the pseudopotential via the Amber-Gaussian interface

From: cwt <cwt_1986.163.com>
Date: Wed, 31 Jul 2013 18:56:11 +0800 (CST)

Dear all,


I have heard that Amber12 package includes the Amber-Gaussian interface. http://sf.anu.edu.au/collaborations/amber_on_fujitsu/amber-12/tutorial/amber-gaussian/index.html
It is very useful for the ab initio QM/MM calculations. But there is a iron atom is my QM subsystem, I would like to add a pseudopotential basis on this atom. Does anybody know how should I deal with it?


Thank you very much!



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Received on Wed Jul 31 2013 - 04:00:02 PDT