fc64b891eba56d91a66feee0c396b4be86568bb0f29dc79948619280e49aad2e  01_display/CMBG_122528_GROMACS_RCSB_CCD_SNFG.pdb
bc53131bcd2df18ae18c623fcc86e7917015efb9cbe04c55caa78d2fa765de04  01_display/CMBG_122528_GROMACS_RCSB_CCD_all_atoms.mol2
c8ef228f57b309a8989f7c989d361dc9721f326725536d538d20095bb94a33ba  01_display/CMBG_122528_GROMACS_RCSB_CCD_all_atoms.pdb
e47b3edbf467016ecb19ffab2611ee537b8b0b65a091f8fa303a950ae2e3960a  01_display/CMBG_122528_GROMACS_RCSB_CCD_all_atoms.sdf
ab5f932ba77f217e0c80e7e25994b45af3edc8dcbd7d724fa2f0fe5bb5c94385  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
d8fb362579e8ef1ba28d26bee4495565ba96abad95171f311e59481e69297f2c  02_representative_structure/prod_006.tpr
fc64b891eba56d91a66feee0c396b4be86568bb0f29dc79948619280e49aad2e  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
bc53131bcd2df18ae18c623fcc86e7917015efb9cbe04c55caa78d2fa765de04  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
c8ef228f57b309a8989f7c989d361dc9721f326725536d538d20095bb94a33ba  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
e47b3edbf467016ecb19ffab2611ee537b8b0b65a091f8fa303a950ae2e3960a  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
7705357b29c9720ed86762a80e646f21923d3f9a3fdf62cc98f64e399bebae73  02_representative_structure/representative_native_GLYCAM.pdb
d7a0a6b47e6890b8d72b567d6d122564227cc91184bb32b662dadeb06931b8ee  02_representative_structure/topol.top
d8fb362579e8ef1ba28d26bee4495565ba96abad95171f311e59481e69297f2c  03_exact_restart_after_30ns/prod_006.tpr
09f8c3d467c98a859d06a6db417b73c20737aaff687c0e2ea41e6853c6ee476f  03_exact_restart_after_30ns/prod_30ns.gro
d7a0a6b47e6890b8d72b567d6d122564227cc91184bb32b662dadeb06931b8ee  03_exact_restart_after_30ns/topol.top
226c4a8a668597397550065749931b37554e9cfcc4eb970821337270c95a7cfe  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
4d13a90b8936b3f7f54a82fc64a80156081a4ae0b872a74d35d2aa0ee9d1ad61  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
98bd68219415ba6c5f593e1b0ecaeb03d06968f5923d21510acd534bee21da84  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
7705357b29c9720ed86762a80e646f21923d3f9a3fdf62cc98f64e399bebae73  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
140b107f4a2dd31f6ad7f766011f3bc25f4bc07ef2adfcdd99ebdee275edb0ca  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
5b6a703eabde35b160ea1942159744a198e7c1d93a1db1c49bf5de4b6ae8ef4c  05_metadata/cluster_summary.json
3d73356e64da16e22fd71cd4cec7a91866ed8d0c0ce497cb264ee5530b92c320  05_metadata/cutoff_scan.tsv
8042aaf74d23d7909ef6a23744aca292bdd850a87c3f9a096718929f2c0b84df  05_metadata/residue_mapping.tsv
9b50d4f0f71f8d353c1bd95475808eceb6b48b036d0980f8b2e0027d1ff0e5d0  05_metadata/workflow_config.json
d8fb362579e8ef1ba28d26bee4495565ba96abad95171f311e59481e69297f2c  06_forcefield/prod_006.tpr
d7a0a6b47e6890b8d72b567d6d122564227cc91184bb32b662dadeb06931b8ee  06_forcefield/topol.top
5009b19a84522ec3e5433f3a72b5c6654fe3bc588d87b633357a99d4e7641bde  PACKAGE_STATUS.json
2c8fc7a5f332ab89c0ca093b8d93f2b928547a1ab914c40a149ad44a8b73ef17  README_FIRST.txt
