标题: 求助：md进行中途报错 [打印本页] 作者Author: TL131242 时间: 2023-7-29 11:17 标题: 求助：md进行中途报错 1 of the 8430 bonded interactions could not be calculated because some atoms
involved moved further apart than the multi-body cut-off distance (0.832653
nm) or the two-body cut-off distance (1.74543 nm), see option -rdd, for pairs
and tabulated bonds also see option -ddcheck
md进行了一会开始报错，请问这种错误是蛋白结构的问题吗，需要优化吗？
以下是mdp文件及输入gro文件 (, 下载次数 Times of downloads: 14)