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vvoelz / biceps

Bayesian inference of conformational populations
https://github.com/vvoelz/biceps
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Missing a negative sign before a Karplus parameter #89

Closed robraddi closed 1 year ago

robraddi commented 1 year ago

Karplus parameter "B" should not be positive. Typo: missing a negative sign. Should be 

 "Habeck" :  dict(phi0=-60 * np.pi/180., A=7.13, B=-1.31, C=1.56),        # From Table 1. in paper
robraddi commented 1 year ago

Fixed