AMBER Archive (2008)

Subject: AMBER: Trans-azobenzene and cis-azobenzene

From: Chih-Ying Lin (chihying_at_usc.edu)
Date: Mon Apr 07 2008 - 13:13:01 CDT

Hi
I also dealt with the trans-azobenzene with minimisation.
The published papers show that the atoms of the two benezene of the trans-azobenzene are in the same plane.

However, after running minimisation, the atoms of the two benezene of the trans-azobenzene are NOT in the same plane.

The trans-azobenzene is also dealt with antechamber.

Lin
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