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  • Posted a comment on discussion Help and Feedback on smina

    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

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ldornfeld
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2023-04-26 10:47:34.471000

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