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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Received on Fri Apr 18 2008 - 21:18:29 PDT
