In the section of "Simulation data", the sentence "The different physical validation tests do not all require all data to be able to run" could probably be more clear. If I understand correctly, this just means that some tests (integrator and ensemble validation) only require mdp, top, gro and edr files, while some other tests (equipartition) did not require a gro file but the trajectory file (trr file). I have not made any changes for this sentence but I think maybe we could explicitly mention the required inputs for different tests. (Maybe we can use bullet points?)
Agreed that it can be clarified. I'll take a pass at that.
Agreed that it can be clarified. I'll take a pass at that.
_Originally posted by @ptmerz in https://github.com/shirtsgroup/physical_validation/issues/163#issuecomment-847488460_