Is there perhaps a (python) script lying around somewhere in the src distribution to convert charmm parameter files (.prm) into mm_torsion_params.txt and mm_atom_properties.txt (in the database directory database\chemical\mm_atom_type_sets\fa_standard)?
I have added the MM parameters for R1A and now I naturally have a lot of missing types for the mm_* score terms. I’m thinking the easiest way to sort this out is just to regenerate the mm_torsion_params.txt and mm_atom_properties.txt from my working charmm parameter files?
I have looked under rosetta_2014.22.56873_bundle\main\source\src\python\apps\public and
rosetta_2014.22.56873_bundle\tools but failed to find anything.
I realize such a script is not difficult to write and will of course do so if no previous script exists.
Thank you for your help,