Add `Rgyr` vs `Dmax` plots

bl1231 / bilbomd-worker

Processes BilboMD jobs and run CHARMM, FoXS, and MultiFoXS

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Add `Rgyr` vs `Dmax` plots #479

Closed dsclassen closed 2 weeks ago

dsclassen commented 1 month ago

These plots might be informative for giving people feedback about the overall range of conformations sampled vs the actual "winning" ensembles picked by multi_foxs.