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reflection symmetry? |
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Respected Prof. @cortner. I have performed the all atom simulation of azobenzene using ACEpotentail.jl and MACE. But when I plot the probability distribution of dihedral angle (C-N=N-C), I have got two distinct maxima at 160 to 180 and -160 to -180 degree respectively. In your linear ACE paper, you got the maxima around 160 to 180 degree. I didn't understand whether I'm right or wrong. It'll be nice if you clear my doubts.
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