Hi
I recently running minimisation on cis-azobenzene and the cis
became trans-azobenzene.
The energy barrier between cis and trans is 160 kJ/mol so the cis
should not become trans after minimisation.
The cis-azobenzene is dealt with the Antechamer.
Can Amber-Antechamber create correct Force Field Parameters for
cis-azobenzene?
Lin
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Received on Fri Apr 18 2008 - 21:15:39 PDT
