标题: gromacs生成tpr文件时出现Atom index (1) in bonds out of bounds (1-0)报错怎么解决 [打印本页] 作者Author: baixiaoxuan 时间: 2024-2-12 17:05 标题: gromacs生成tpr文件时出现Atom index (1) in bonds out of bounds (1-0)报错怎么解决 做em模拟生成tpr文件时，出现了如下报错：
ERROR 1 [file spc.itp, line 18]:
Atom index (1) in bonds out of bounds (1-0).
This probably means that you have inserted topology section "bonds"
in a part belonging to a different molecule than you intended to.
In that case move the "bonds" section to the right molecule.
请问如何解决？