Hello:
I am reading the Paramfit tutorial:
http://ambermd.org/tutorials/advanced/tutorial23/paramfit_6.html
I notice that there are not so much improvement when we compare the
initial Amber (blue line) and the fit Amber (red line). Both of them are
far far away from the QM results (black line). Probably there is some
problem of the figure legend, and the black should be "initial Amber"
whereas blue and red should be "QM" and "fit Amber"?
Thanks a lot
Albert
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Received on Fri Jul 29 2016 - 13:00:03 PDT
