Add OPLS ref to relevant files

DeepRank / deeprank2

An open-source deep learning framework for data mining of protein-protein interfaces or single-residue variants.

https://deeprank2.readthedocs.io/en/latest/?badge=latest

Apache License 2.0

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Add OPLS ref to relevant files #593

Closed gcroci2 closed 5 months ago

gcroci2 commented 5 months ago

We should make the warning about atoms missing in the forcefield clearer (mentioning OPLS), and make explicit in the readme that only PDB files generated using OPLS work.