Lars Dornfeld - 2023-04-26

Hi together,

first of all many thanks for providing smina and its nice user interface.
I have a problem with understanding the results of my minimisation.

Affinity: -35.98056 1.66626 (kcal/mol)

I assume the first value (-35.98056) refers to the binding energy. What is the meaning of the second term (1.66626 )? I assume it is a statistic metric, but which and how it is calculated?

Best and thanks,
Lars