e75006954f8161f85d4a8e0f1e74ee78ef942bbb7f8e687112bbb63b417b08cc  01_display/CMBG_23042_GROMACS_RCSB_CCD_SNFG.pdb
8a865cf99179c119bbe1198b472d3456c6c04b910debd7b09f331ad92d90ec59  01_display/CMBG_23042_GROMACS_RCSB_CCD_all_atoms.mol2
53e466a3faa6900d3d93a4b92d233feee015908adee5ebe81b3225ff1046abdd  01_display/CMBG_23042_GROMACS_RCSB_CCD_all_atoms.pdb
aeae0f26edf000724327cd021cd76e06975b5f59a1b7b27264ecb14ee002a7de  01_display/CMBG_23042_GROMACS_RCSB_CCD_all_atoms.sdf
f3aa44e567f2a7c8c9053430abf51a04597ee61339aa0dc07bf03d246b76b93a  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
a9162e46156b697b42edd9525ac4e8d0cd328723b389611f895ed26ddb7c428e  02_representative_structure/prod_006.tpr
e75006954f8161f85d4a8e0f1e74ee78ef942bbb7f8e687112bbb63b417b08cc  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
8a865cf99179c119bbe1198b472d3456c6c04b910debd7b09f331ad92d90ec59  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
53e466a3faa6900d3d93a4b92d233feee015908adee5ebe81b3225ff1046abdd  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
aeae0f26edf000724327cd021cd76e06975b5f59a1b7b27264ecb14ee002a7de  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
726c2d78eddf7663216a7b9776703924389e65a0dc0527f7166ed4adc879f41b  02_representative_structure/representative_native_GLYCAM.pdb
38a67b789e672868c704a80c05cd092fd16c52fe617fe917a2ed4db1ea46b2c6  02_representative_structure/topol.top
a9162e46156b697b42edd9525ac4e8d0cd328723b389611f895ed26ddb7c428e  03_exact_restart_after_30ns/prod_006.tpr
4632bfaa3c7bee65f4ddf3c6e82ff2b6dd91d68ddd35519c60314a0ed775d510  03_exact_restart_after_30ns/prod_30ns.gro
38a67b789e672868c704a80c05cd092fd16c52fe617fe917a2ed4db1ea46b2c6  03_exact_restart_after_30ns/topol.top
0991a60cc5fcdf816fd45c64c564115666bd3308eb487ce0de29842a74e22b22  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
ba4dd5f2171e4558707cd3536325abf8d8a14d525ae44891083e997fcf10624f  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
0e47e6f5dd3e1b47ed6dc04c0805152f0b99d4e720da3ca676db10f55cebd4c4  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
726c2d78eddf7663216a7b9776703924389e65a0dc0527f7166ed4adc879f41b  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
eb5ea0c7fc0dfbbadc045aaef165bf9c365d6a9a959fb30b99250867e5dcca1a  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
3ec54d1106326c23bfc3438b0667f6f8bec868a7e3a1098b00f2f706cb2a69b2  05_metadata/cluster_summary.json
5d11a5dba81dcc5131ab73fcb47f5d8d9c827d34463d89b58a6c1512e34ba0f6  05_metadata/cutoff_scan.tsv
8042aaf74d23d7909ef6a23744aca292bdd850a87c3f9a096718929f2c0b84df  05_metadata/residue_mapping.tsv
9fd9d576507d2ad7a58f7ba2a9114703a6eff5c5af36c43865ed2d94dab55ede  05_metadata/workflow_config.json
a9162e46156b697b42edd9525ac4e8d0cd328723b389611f895ed26ddb7c428e  06_forcefield/prod_006.tpr
38a67b789e672868c704a80c05cd092fd16c52fe617fe917a2ed4db1ea46b2c6  06_forcefield/topol.top
570b90fa1c7708f88a88ecec06c0c7113ed4f1b5642c0b3b60f278bb919dac78  PACKAGE_STATUS.json
8518079194d73609394099b64879edc3e0430a1887403b3624ea9f045d55a985  README_FIRST.txt
