Hi
I found that the dihedral CCNN force field for the azobenzene are not quite right.
0 3.14 3.0 :1.CAH :1.CAM :1.NAK :1.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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Received on Sun Apr 27 2008 - 06:08:16 PDT
