[AMBER] Application of external electric field with QM/MM in Amber

From: Kshatresh Dutta Dubey <kshatresh.gmail.com>
Date: Tue, 7 Mar 2017 22:47:15 +0200

Dear Users,

I need to study the effect of electric field and same time I want to
include some atoms in QM/MM. As I know, sander supports QM/MM
calculations and electric field can only be studied using pmemd code.
Therefore I am unable to do the desired study.
I will deeply appreciate if someone could help me to run both types of
calculations in same MD run.

Thanks and regards
Kshatresh

-- 
With best regards
************************************************************************************************
Kshatresh Dutta Dubey
Post Doctoral Researcher,
Lise Meitner Center for Computational Quantum Chemistry
Hebrew University of Jerusalem Israel
Jerusalem, Israel
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Received on Tue Mar 07 2017 - 13:00:03 PST