21a8d720918d0839a6507b462e13813421d4a50f7a63eecd1b44e7deac4b8a8a  01_display/CMBG_29940_GROMACS_RCSB_CCD_SNFG.pdb
675f094b5eef8b063ade4005163dc26dad6ef7deed8de86ec810bd59440c4cbc  01_display/CMBG_29940_GROMACS_RCSB_CCD_all_atoms.mol2
85d61770e3e6a80e4257b33c05ea0ce208727d0d4a3e1b9e31dc8eacf4f6916e  01_display/CMBG_29940_GROMACS_RCSB_CCD_all_atoms.pdb
5d2590a0f9d0c240ddc5574780a7f960c8a48c954a2a292f216921207915ed40  01_display/CMBG_29940_GROMACS_RCSB_CCD_all_atoms.sdf
d07be7edacb2513aa72247a7bf8f6939e9fa53a302de7fdb94fb80bb74ab606e  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
0d3e0e8711c13761c40b512ffc51a2cc1df1f47ba37a4bba21ff2fa33b0d9fa1  02_representative_structure/prod_006.tpr
21a8d720918d0839a6507b462e13813421d4a50f7a63eecd1b44e7deac4b8a8a  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
675f094b5eef8b063ade4005163dc26dad6ef7deed8de86ec810bd59440c4cbc  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
85d61770e3e6a80e4257b33c05ea0ce208727d0d4a3e1b9e31dc8eacf4f6916e  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
5d2590a0f9d0c240ddc5574780a7f960c8a48c954a2a292f216921207915ed40  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
d5b44ed0cb7bed324459d6d7e914398272bc2f9d53f5bb23e586968e8b66250f  02_representative_structure/representative_native_GLYCAM.pdb
9056698b12e3b247ea933065e4f26e97ca080471be10a558f9947034b9a2e8e2  02_representative_structure/topol.top
0d3e0e8711c13761c40b512ffc51a2cc1df1f47ba37a4bba21ff2fa33b0d9fa1  03_exact_restart_after_30ns/prod_006.tpr
4cfb7272753aa3d9f14747f913c2db1e0216f838ad0a7c4a107a64f822ce48c4  03_exact_restart_after_30ns/prod_30ns.gro
9056698b12e3b247ea933065e4f26e97ca080471be10a558f9947034b9a2e8e2  03_exact_restart_after_30ns/topol.top
9a0c7f0d2b3900f3b40a89e8ac359e2b694a697fc9438235448aaa3941a43016  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
003160ee51763cfef9929ef357e6057431c3e0876d9c6f483fa1043ea5cb5b4c  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
7e7d1961240a8f065cdffb7f9c152b43e5af0202190df990919d9fe4684f47ad  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
d5b44ed0cb7bed324459d6d7e914398272bc2f9d53f5bb23e586968e8b66250f  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
9e37a57c5451be48e64cd02a0720ed0761259dcdf4c2fdc2f9d24552d83bbab0  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
41f491c4c2f2f9228c26c0b6125928ff4fcc5a4251130f077b03a546d6391990  05_metadata/cluster_summary.json
ccf0a8efe2b6c4be05c39b61582398352209683e25711ea1cac38441b9af5fb6  05_metadata/cutoff_scan.tsv
3117d164710c4e3fa66505b58d9f2f9fdb59f9b6bfff5d56161e6d6cf950968a  05_metadata/residue_mapping.tsv
9dd14990a3e8e231d012a2eee80574807cb8463183bc165c80cf002e351cc649  05_metadata/workflow_config.json
0d3e0e8711c13761c40b512ffc51a2cc1df1f47ba37a4bba21ff2fa33b0d9fa1  06_forcefield/prod_006.tpr
9056698b12e3b247ea933065e4f26e97ca080471be10a558f9947034b9a2e8e2  06_forcefield/topol.top
2f25e6ce882677032c0550022f2bbc168dec0311a07aeb164cbafad0be4867ef  PACKAGE_STATUS.json
f6ea88dd7adce94a259259af1da5c5794bb184cba794c8878bceada749fdbf69  README_FIRST.txt
