[AMBER] print molecular orbitals

From: Florent Barbault <florent.barbault.univ-paris-diderot.fr>
Date: Wed, 05 Mar 2014 14:01:48 +0100

Dear all amber users

I am doing SMD(QM/MM) with DFTB for the QM region. It works fine, but I
am wondering if there is a way to visualize the molecular orbitals
during the simulations?

Best regards
Florent Barbault

-- 
-------------------------------------------------
Dr Florent Barbault
Maitre de conferences / Associate professor
Universite Paris Diderot
Laboratoire ITODYS
15 rue Jean de Baïf, bâtiment Lavoisier
75013 Paris FRANCE
http://florentbarbault.wordpress.com/
tel  : (33) 01-57-27-88-50
e-mail : florent.barbault.univ-paris-diderot.fr
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Received on Wed Mar 05 2014 - 05:30:02 PST