AMBER Archive (2008)

Subject: AMBER: trans-azobenzene under minimisation

From: Chih-Ying Lin (chihying_at_usc.edu)
Date: Thu Apr 10 2008 - 19:29:37 CDT

Hi
The published papers show that trans-azobenzene under minimisation should be still planar.

After I run the trans-azobenzene under minimisation using amber, the two phenyl rings are no longer not on the same
plane.

The force field parameters used for the trans-azobenzene are the same as the cis - system which are recommended by the
Dr. Junmei Wang.

Any ideas for this?

Thank you
Lin
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