[gmx-users] Gromacs tutorial

[Suprim Tha]

I was trying gromacs tutorial on molecular dynamics simulation of
protein-ligand complex. Everything was going well until the step to
convert CHARMM
jz4.str file into GROMACS files using the command
python cgenff_charmm2gmx_py2.py JZ4 jz4.mol2 jz4.str charmm36-mar2019.ff
The error was:
Error in atomgroup.py: read_mol2_coor_only: no. of atoms in mol2 (22) and
top (0) are unequal
Usually this means the specified residue name does not match between str
and mol2 files.
I have attached the generated str and mol2 files.
Please help me find the error.