python cgenff_charmm2gmx_py2.py LIG lig.mol2 lig.str charmm36-jul2022.ff
NOTE 1: Code tested with python 2.7.12. Your version: 2.7.17 (default, Mar 8 2023, 18:40:28)
[GCC 7.5.0]
NOTE 2: Please be sure to use the same version of CGenFF in your simulations that was used during parameter generation:
–Version of CGenFF detected in lig.str : 4.6