Max1461

Bug: No error message when no value calculated for HSE

9

**Describe the bug** When generating and saving graphs, made from a sample set of pdbs containing created micro-envirnonments from pMHC structures, to a hdf5 file the following error occured for...

Fix hydrogens unkown to the forcefield

3

@LilySnow @gcroci2 @DaniBodor I run into a situation that when I use queries.process() to make and save my graph(s) the following type of warning messages are printed for several hydrogens...