Multiple molecules?

[tantrev]

Hello! I'm just curious if QuickFF can simultaneously parameterize multiple molecules and generate a shared force field covering all of them? It seems the current use case has focused on single-molecules.

[lvduyfhu]

Hello,

QuickFF indeed focusses on deriving a force field for the covalent contributions of an isolated molecular system. At this moment, we did not implement any features to adress simultaneous parametrization of transferable force fields across multiple molecules.

all the best, Louis