我做水溶液中离子穿过mxene膜的分子动力学模拟，先建了一块简单的模型试跑（mxene膜的上下铺了聚合物链），但是em能量收敛不到想要的值，然后就这这个em之后的结构跑nvt就出现了这个错：
Fatal error:
1 of the 18993 bonded interactions could not be calculated because some atoms
involved moved further apart than the multi-body cut-off distance (0.623 nm)
or the two-body cut-off distance (1.246 nm), see option -rdd, for pairs and
tabulated bonds also see option -ddcheck