GROMACS version:2021.4
GROMACS modification: No
I’m attempting to run a protein-ligand complex following a tutorial I found at [Protein-Ligand Complex]. The only alteration I made was using ligpargen [https://traken.chem.yale.edu/ligpargen/] instead. Despite reading through many discussions on the GROMACS forum, I’m still encountering the same issue.
Fatal error:
Syntax error - File forcefield.itp, line 18
Last line read:
‘[ defaults ]’
Invalid order for directive defaults
For more information and tips for troubleshooting, please check the GROMACS
website at Common Errors — GROMACS webpage https://www.gromacs.org documentation