62288700a1d2bfd8391da801fe3528b8297231e63faf7a2698da2862463d8692  01_display/CMBG_22704_GROMACS_RCSB_CCD_SNFG.pdb
a40b0e5516d8acf1fcdc2a456818f04fba46dda0f6cf7a7130445821ccd9b8ce  01_display/CMBG_22704_GROMACS_RCSB_CCD_all_atoms.mol2
7f6674e3afd9f5905d975fa1aa9c745ec4dd912b414811aa3387eeffc4fd7de3  01_display/CMBG_22704_GROMACS_RCSB_CCD_all_atoms.pdb
efe493e7ea77860d8914e448a06c80a8fbb3f27ff0907f3c015459799baae952  01_display/CMBG_22704_GROMACS_RCSB_CCD_all_atoms.sdf
64e429676b2ac7355171c854f2fd93e8c778a0abf027e47afbf1a957f2b12be8  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
b0c555c1932e02d0dc8750c9c8a43f67f6daddb1e7f55a2cbbf164b98cd6542a  02_representative_structure/prod_006.tpr
62288700a1d2bfd8391da801fe3528b8297231e63faf7a2698da2862463d8692  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
a40b0e5516d8acf1fcdc2a456818f04fba46dda0f6cf7a7130445821ccd9b8ce  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
7f6674e3afd9f5905d975fa1aa9c745ec4dd912b414811aa3387eeffc4fd7de3  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
efe493e7ea77860d8914e448a06c80a8fbb3f27ff0907f3c015459799baae952  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
2f9763c0c2c3296b70ead113f3ecc580c21fa0ec3e963f88cf5f828af320c46d  02_representative_structure/representative_native_GLYCAM.pdb
1bcc416e65a413a35cd12147301e5ab549afcd45c614fd0faa526f9efe5a2035  02_representative_structure/topol.top
b0c555c1932e02d0dc8750c9c8a43f67f6daddb1e7f55a2cbbf164b98cd6542a  03_exact_restart_after_30ns/prod_006.tpr
221ee6825a108d9a52bf3ee4ec904c3f94c196f03dfccd8ad813f9262e934dec  03_exact_restart_after_30ns/prod_30ns.gro
1bcc416e65a413a35cd12147301e5ab549afcd45c614fd0faa526f9efe5a2035  03_exact_restart_after_30ns/topol.top
09bf88bd41845be22ca51fef137c3f7b6fdb1a6723addab88a7f4c2380663d64  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
ba338c21801f3e1be042082e852336847bb4f6a3925fc20b9ff286a746df71a8  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
9b20a733245a9073c790e47ec0c878b229d7893c2cbcdb977e18022ccbc8a7ce  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
2f9763c0c2c3296b70ead113f3ecc580c21fa0ec3e963f88cf5f828af320c46d  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
e71f5c7ce823537b9ca1705d8a3f9f99e365ecc29df8e15617d903cbe37875b9  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
b51f06cb139c7d9d6a4453b824b75b0d754782bd37aa32f5b242b95af8aa417e  05_metadata/cluster_summary.json
383f4e40bd5a6ab63de4c3081aa967bf361865122813aeb2672b274d80d40716  05_metadata/cutoff_scan.tsv
8042aaf74d23d7909ef6a23744aca292bdd850a87c3f9a096718929f2c0b84df  05_metadata/residue_mapping.tsv
cfff0a05b48ae0c2234e17c9692f508e62361a8b70a37af435da0530fdcd3b16  05_metadata/workflow_config.json
b0c555c1932e02d0dc8750c9c8a43f67f6daddb1e7f55a2cbbf164b98cd6542a  06_forcefield/prod_006.tpr
1bcc416e65a413a35cd12147301e5ab549afcd45c614fd0faa526f9efe5a2035  06_forcefield/topol.top
33274caf460675ff457138c481656b0c4374dfa7ff9cc036cfe4eabee3b94950  PACKAGE_STATUS.json
02d6b0df9fbc22be3e8bbee4f83b8b181b665fd3c83c045dacfb6d3244ee3f6d  README_FIRST.txt
