For angle parameters, the equilibrium angle values again barely changed, with all changes less than 8%. There were significant changes in some angle force constants, as high as 154%, for 𝑘 of a6 ([#1:1]-[*;r3:2]∼;!@[*:3]), and these are shown in Figure . Changes in angle force constants are expected as they are coupled strongly with torsions, which are mainly affected by changes in LJ parameters.