GROMACS version: 5.1.4
GROMACS modification: No
Hello all,
I am trying to run a simulation involving hydrogen sulfide, but am not sure what to do to get good parameters for the topology of the molecule. I am using the CHARMM36m force field and have had good luck so far with topology files for other small molecules with CGenFF, but understandably get poor parametrization for Hydrogen Sulfide. Could someone point me where to get an existing parametrization/topology for hydrogen sulfide or instruct me in how to construct the files and find the values manually?