标题: pdb2gmx命令报错Residue 33 named HJF of a molecule in the input file was mapped [打印本页] 作者Author: zwy123 时间: 2024-6-1 21:26 标题: pdb2gmx命令报错Residue 33 named HJF of a molecule in the input file was mapped Fatal error:
Residue 33 named HJF of a molecule in the input file was mapped to an entry in the topology database, but the atom C used in that entry is not found in the input file. perhaps your atom and/or residue naming needs to be fixed.
我的HJF残基是非标残基，自己通过sobtop程序生成的rtp文件，这里提示的HJF文件，在坐标文件中应该属于32号，请问，这个报错怎么解决啊