[gmx-users] Problem in using pdb2gmx to generate top file

[张敏华]

Hi everyone, I encountered a problem when I using pdb2gmx to convert a pdb file into gro and top file. The system give me a fatal error message as following:
 
Fatal error:
Residue 145 named LYS of a molecule in the input file was mapped
to an entry in the topology database, but the atom CG used in
that entry is not found in the input file. Perhaps your atom
and/or residue naming needs to be fixed.

But the 145 residue is LEU actually, and the sidechain of this residue is OK, I replaced this residue with ALA, ARG or LYS but the error message remains. So does anyone know the cause and help me to solve this ?

Thanks