openff.interchange.interop.internal.gromacs.to_top
- openff.interchange.interop.internal.gromacs.to_top(openff_sys: Interchange, file_path: Union[Path, str])[source]
Write a GROMACS topology (.top) file.
See https://manual.gromacs.org/documentation/current/reference-manual/file-formats.html#top for more details.
This code is partially copied from InterMol, see https://github.com/shirtsgroup/InterMol/tree/v0.1/intermol/gromacs