Chloroform as a solvent in Charmm36 force field

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1

GROMACS version: 2022.5
GROMACS modification: No
I am interested in using chloroform (CHCl3) as a solvent instead of water in the Charmm36 force field. Unfortunately, I couldn’t find any topology for chloroform and since the atom types are not defined in Charmm36, gmx2gro is unable to generate the topology file. I wonder if anyone has used chloroform with this force field. Any help would be appreciated.

2

I found this .str file for chloroform (from here: GitHub - ChayaSt/FFconversion: scripts to convert CHARMM files to OpenMM ffxml files) but when I use cgenff_charmm2gmx_py2.py to get the topology in Charmm36 ff, I face the error that the versions of CGenFF are not the same. I have CGenFF 2b8. How can I know by which version of CGenFF the .str file was produced?
chloroform.txt (1.6 KB)