[gmx-users] cgenff script failed

[Albert]

Dear:

I've trying to use the following command to generate ligand toplogy for 
Gromacs:

cgenff_charmm2gmx.py UNK ligand.mol2 ligand.str ./charmm36.ff

but it failed with messages:

error in atomgroup.py: read_mol_coor_only: natoms in mol2 .ne. top
54 0

It is really strange to see this error since it claimed that there is 0 
atom in my .top file.... I obtained the ligand.str file from paramchem 
website without any warnings or errors.

THX a lot