Does anyone know if cff charges are accessible via a script for the missing partial charges in the CHARMm forcefield?
I am writing a script to type general organic molecules via the applyforcefield function using the CHARMm forcefield. I would like to use the cff partial charges for atoms that cannot be typed from the templates, but I only see the MMFF94, Momany-Rone, or current charges available:
Ffdm::useCurrentPartialCharges
Ffdm::useMmff94PartialCharges
Ffdm::useMomanyRonePartialCharges
Thank you.
I am writing a script to type general organic molecules via the applyforcefield function using the CHARMm forcefield. I would like to use the cff partial charges for atoms that cannot be typed from the templates, but I only see the MMFF94, Momany-Rone, or current charges available:
Ffdm::useCurrentPartialCharges
Ffdm::useMmff94PartialCharges
Ffdm::useMomanyRonePartialCharges
Thank you.