221c192165f256c0e3b8202d081effc2055458103f080f2925854d0fb44cca84  01_display/CMBG_2790_GROMACS_RCSB_CCD_SNFG.pdb
134b859c8ae4f1eb0353e3aa0b65c4f54fdee93893f316593757d6cd42cb0fd7  01_display/CMBG_2790_GROMACS_RCSB_CCD_all_atoms.mol2
b3ac971922939b9cabee9bdcb804144da65c5cb6b8a9e337a69ec945e1c43546  01_display/CMBG_2790_GROMACS_RCSB_CCD_all_atoms.pdb
b71d23a25ff656d69db9f1b10680fb7ee1338f38c02882ad697d6caf5c1612ae  01_display/CMBG_2790_GROMACS_RCSB_CCD_all_atoms.sdf
39e51742f1726c22fca5bc01c371442f850a15f9c66f5dd6e34824056eb6ca60  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
dc93fe433f3147ab41cfd17ab066584cb3fb9d1a25bcf5b63740e6a1d93f9047  02_representative_structure/prod_006.tpr
221c192165f256c0e3b8202d081effc2055458103f080f2925854d0fb44cca84  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
134b859c8ae4f1eb0353e3aa0b65c4f54fdee93893f316593757d6cd42cb0fd7  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
b3ac971922939b9cabee9bdcb804144da65c5cb6b8a9e337a69ec945e1c43546  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
b71d23a25ff656d69db9f1b10680fb7ee1338f38c02882ad697d6caf5c1612ae  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
e9fd33f43945d90253ec82936a8934782aeacdb57a00ea0f14c4495253667588  02_representative_structure/representative_native_GLYCAM.pdb
5c97427d63ccd9ef4da83c72f55022532b3550cfc7a1fdc28ba71e4a5b4b2f13  02_representative_structure/topol.top
dc93fe433f3147ab41cfd17ab066584cb3fb9d1a25bcf5b63740e6a1d93f9047  03_exact_restart_after_30ns/prod_006.tpr
54cba33785ed098f545dcd631ebf8cb1204f1da7a0b975011b9774893258449d  03_exact_restart_after_30ns/prod_30ns.gro
5c97427d63ccd9ef4da83c72f55022532b3550cfc7a1fdc28ba71e4a5b4b2f13  03_exact_restart_after_30ns/topol.top
2e2b02ddfa4b4bd48d21b91c77f69a50718e6297c2d4500c26bdd77b2c25e006  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
c6fe517edfae63829f4e5923091cd45772f9c7a163949652ee136a50d8b2e794  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
356b08f67b707f124855522010fc8a46f5e24710e10ded1a9741f110158224ef  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
e9fd33f43945d90253ec82936a8934782aeacdb57a00ea0f14c4495253667588  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
81dcc5c63b803036d8834931018c86a864cfda87be053a04b12d8aa524d38bba  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
7cc95e456476ef60ad6781144ad22105b28212df417cc5bc5536c86be3c0f2a7  05_metadata/cluster_summary.json
54fb099d4b745ba13bb4b77c039eb9bfa5b4af2964f68399e037e7f95e228222  05_metadata/cutoff_scan.tsv
8042aaf74d23d7909ef6a23744aca292bdd850a87c3f9a096718929f2c0b84df  05_metadata/residue_mapping.tsv
7446af4185f519c0cd26b9022e1744f46699210cfa1f5204f0a24d85b70a3825  05_metadata/workflow_config.json
dc93fe433f3147ab41cfd17ab066584cb3fb9d1a25bcf5b63740e6a1d93f9047  06_forcefield/prod_006.tpr
5c97427d63ccd9ef4da83c72f55022532b3550cfc7a1fdc28ba71e4a5b4b2f13  06_forcefield/topol.top
6e9adebb7c0306e753f0b40d39d27b7d4c2cd792be036909111cc8db1c9da662  PACKAGE_STATUS.json
d85d929bee7cf5918f03bc214f8bab887f563eca22917c2bb637363813f35edc  README_FIRST.txt
