[gmx-users] File forcefield.itp, line 4 Last line read: '[ defaults ]' Invalid order for directive defaults

[Qing Lv]

Dear All,


I am setting up a simulation of protein-ATP complex. I manually combined the coordinates and topologies of the protein and ATP together, and ran editconf and solvate successfully. However, when I ran grompp, errors occurred:
Syntax error - File forcefield.itp, line 4
Last line read:
'[ defaults ]'
Invalid order for directive defaults


I checked the .itp files I used and did not find "[ defaults ]" pattern. How to fix it?
Thanks,
Qing