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Fix wrong setup of LJ, improve CI and coverage (#63)
* fix setup of histatin case, clean up define_protein code * fix setup of globular proteins * fix issue with setup of exclusion radius * solved bug with HH in sample scripts * fix reading of offset and cutoff from file * incorporate metal ions into define_protein * add CI tests for create_added_salt and create_counterions * add the new CI tests * fix unused input argument * fix bug in overwrite feature * make pylint happy * WIP: bug when creating multiple molecules * fix issue in bookkeeping of ids * remove write_vtf_trajectory * remove Pandas warnings from lib/create_cg_from_pdb.py, remove pyMBE custom writting of vtf files * fix setup of globular proteins, functional test now passes * start designing CI test for define and create functions * Add CI tests for create_residue, remove unnecesary code lines * implement tests for create_molecule, improve coverage of create_residue * fix wrong setup of l0 not taking into account the offset * add unit tests for globular protein functions, fix bug in samples * solved bug in add_bond_in_df * Improve the coverage of load_interactions, add more CI tests * add missing files
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