where 𝛥%𝐴𝑃𝐿 𝑖 and 𝛥%𝐷ʜʜ 𝑖 are the percentage deviations observed on average within the 𝑖 th simulation of a given pair of lipid type and temperature included in the training set, 𝜀 represents the tolerated measurements error in 𝛥%𝐴𝑃𝐿 𝑖 and 𝛥%𝐷ʜʜ 𝑖 (set to 1.5), 𝑤 1 is a weight used to prioritize fitting the top-down objectives over the bottom-up one (set to 10), meaning the protocol is allowed to discard structure-based information for better fitting experimental measurements, and 𝑛 is the number of pairs of lipid type and temperature included in the training set.