Hi
Can N=N double bond rotate freely?
Can N=N double bond rotate freely under minimisation?
I am using Amber to run the cis-azobenzene minimisation. There are two states for running the minimisation.
Minimisation Stage 1 - Holding the solute fixed => visually, it is still a cis-azobenzene
Minimisation Stage 2 - Minimising the entire system => visually, it become a trans-azobenzene, but still have different
structrure with real trans-azobenzene
I don't know how this happened after 2nd minimisation.
Any ideas about this?
Thanks
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Received on Fri Apr 18 2008 - 21:14:38 PDT
