GROMACS version: 2018
GROMACS modification: No
I am including a new ligand into a simulation with a force field of the Amber family by simply generating an itp file for the ligand, as suggested in the " Adding a Residue to a Force Field" webpage. Then, I am including the name of the [ atomtypes ] section in the ffnonbonded.itp file for the force field. The parameters were generated with Ambertools and I did not change the original atom type names, which happened to be lower case. I was wondering if the atomtypes section in the ffnonbonded.itp file is case sensitive? Can I have two atom types which are understood to be different by Gromacs as long as they are in a different case?
I have seen this question asked years ago, with changes to case-sensitivity apparently after GMX 4.5. Does this remain the state of affairs?