Hi
what are the dependencies of mol2genparams.py scripts? when I am trying to run the scripts, its saying no module name Type or BasicClasses and so on.
I already have numba, scipy and numpy installed.
Thank you
Dhiraj
Category:
Post Situation:
As an alternative, I have an alternative module for topology file generation (Pip: rdkit-to-params, it's also on a webpage: https://params.mutanalyst.com/), which can do general potentials —but I have not tested the latter as I was waiting for the generalised potential scorefunction to be more stable beforehand... But might be a valid plan B.