GROMACS version: 2018.3
GROMACS modification: No
I am running simulations with 6 copies of the same peptides to create a hexamer.
When I try to make a .tpr file to add ions to the system by gmx grompp -f ions.mdp -c cubic.gro -p topol.top -o ion.tpr, I get the following error: (I am using CHARM36m FF)
Syntax error - File forcefield.itp, line 12
Last line read:
‘1 2 yes 1.0 1.0’
Found a second defaults directive.
I got no such error when I ran simulations for just a monomer. Do you have any idea about what might be the problem with the forcefield file? Thank you.