Parameters for the solvated KcsA-K+-LAB-TEA, when LAB-TEA place in cytoplasmic region and K+-ion inside the cavity

Parameters for the solvated KcsA-K⁺-LAB-TEA. These KcsA-K⁺-LAB-TEA systems were solvated by truncated octahedron TIP3PBOX, using the leap program in AMBER20. The LAB-TEA is placed in the cytoplasmic region and K⁺-ion inside the channel cavity.溶剂化KcsA-K⁺-LAB-TEA体系的参数配置。该类KcsA-K⁺-LAB-TEA体系采用AMBER20中的leap程序，以截断八面体TIP3PBOX水盒完成溶剂化处理。其中LAB-TEA被安置于胞质区域，钾离子（K⁺）则位于通道空腔内部。