Problem in creating ligand topology

User discussions
1

GROMACS version: 2021
GROMACS modification: Yes/No
I uploaded a molecule in mol.2 format in cgenff and thn i got the output
file in .str format. and now i am converting the .str which is in charmm
format to gromacs format using the script cgenff_charmm2gmx.py by the
following command as:-

python cgenff_charmm2gmx.py abc abc.str abc.mol2 charmm26-mar2021.ff

but i am getting the following error

python: can’t open file ‘cgenff_charmm2gmx.py’: [Errno 2] No such file or directory

2

You’re calling a script that doesn’t exist. Either it’s named something else or you’re in the wrong directory.