61b899afe9d9022115d31ea1fefcb04204a308cb66becee224349fe452b2444d  01_display/CMBG_144088_GROMACS_RCSB_CCD_SNFG.pdb
aac53fcaeca4a6b2c7f845518042249b85d98e9e4a1742aa1d039a4b697b40b0  01_display/CMBG_144088_GROMACS_RCSB_CCD_all_atoms.mol2
57281b8357ba39b6d11365c66b085278a4c4464c5c2f8a59e27e1413dab806b8  01_display/CMBG_144088_GROMACS_RCSB_CCD_all_atoms.pdb
bd7843b226d490cf5eb911bdcafd70c5328353bf9dbaceca996977eac07cfa95  01_display/CMBG_144088_GROMACS_RCSB_CCD_all_atoms.sdf
9e7ef96f36c636ce43fe00bc557dd5a9f630bc3115d8e988008eeaaf25ecc88c  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
95e7309cd575f12b712c40e481dd603abc9b92621599d00a2d3eceaa5f3d0f51  02_representative_structure/prod_006.tpr
61b899afe9d9022115d31ea1fefcb04204a308cb66becee224349fe452b2444d  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
aac53fcaeca4a6b2c7f845518042249b85d98e9e4a1742aa1d039a4b697b40b0  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
57281b8357ba39b6d11365c66b085278a4c4464c5c2f8a59e27e1413dab806b8  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
bd7843b226d490cf5eb911bdcafd70c5328353bf9dbaceca996977eac07cfa95  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
dcc4511e8daf37d0c2586576fdf589f22e0549edb9a77faa44419ba9a7f37a5a  02_representative_structure/representative_native_GLYCAM.pdb
4a44562c3bfb560b06e4384e0eb33aaf2b605328f1232c97cde9e1b4eaa78162  02_representative_structure/topol.top
95e7309cd575f12b712c40e481dd603abc9b92621599d00a2d3eceaa5f3d0f51  03_exact_restart_after_30ns/prod_006.tpr
8a875cd9dc4a476b3064d83ccd3433e3a02a3a1034f64135be6293d8b24493e9  03_exact_restart_after_30ns/prod_30ns.gro
4a44562c3bfb560b06e4384e0eb33aaf2b605328f1232c97cde9e1b4eaa78162  03_exact_restart_after_30ns/topol.top
3960f2ced334477093af4eb42f20a1b8846993384933e922574265a6c54e77e5  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
336ca8926d94fac06315ef7e74c6c0843d949e85b46ef947e269923ffef31d97  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
7243c6c3050ca861b1cdeb23882b3ab12283ad53c6cae61e404a4dfa41847f57  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
dcc4511e8daf37d0c2586576fdf589f22e0549edb9a77faa44419ba9a7f37a5a  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
e005e2cbdef642540e703e0744bd0c7917279ba3c3fbce2bdbbb9e0111298e2b  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
daae87000eadf55dbf417caf86e46b39b9bb0b0187069d42d04ad320e65e7f36  05_metadata/cluster_summary.json
eea9eb6a0533e29f0104d05923d124a6726b2289213a319ef9c09444ada7052c  05_metadata/cutoff_scan.tsv
8042aaf74d23d7909ef6a23744aca292bdd850a87c3f9a096718929f2c0b84df  05_metadata/residue_mapping.tsv
9e8e9fc497a4a02f0fe449ebe25e31fe87fb4887676d2cb3b8747f123258c4d6  05_metadata/workflow_config.json
95e7309cd575f12b712c40e481dd603abc9b92621599d00a2d3eceaa5f3d0f51  06_forcefield/prod_006.tpr
4a44562c3bfb560b06e4384e0eb33aaf2b605328f1232c97cde9e1b4eaa78162  06_forcefield/topol.top
83d3c62819fc0d9dc169f08f7d582dc6dd44fef931535df3581b951a59977816  PACKAGE_STATUS.json
71968e5157c85eeec2288c9dae5eb769cb35522574024cf6da226f750e96e480  README_FIRST.txt
