运行gromacs时候出现下面错误：There are probably atoms missing earlier in the pdb

xiaopacai

我在运行gromacs时候出现下面错误：There are probably atoms missing earlier in the pdb file。请问大家应该如何解决呢？

lauthirteen

结构文件中间有原子缺失，导致 pdb2gmx 读取时错位，把不连续的两个原子识别为化学键，距离过长 。