AMBER Archive (2008)

Subject: AMBER: Azobenzene: dihedral angle CCNN force field parameter

From: Chih-Ying Lin (chihying_at_usc.edu)
Date: Sat Apr 26 2008 - 14:09:03 CDT

Hi
I found that the dihedral CCNN force field for the azobenzene are not quite right.
0 3.14 3.0 :1_at_CAH :1_at_CAM :1_at_NAK :1_at_NAL (9,11,12,13)

With this set of parameters, the two phenl rings can rotate freely.
Any one have idea for this?

Thanks
Lin
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