7a79ef485bc4ad3cb0c38309f536d590172dcea9375cad8912f43ae260f4679d  01_display/CMBG_29504_GROMACS_RCSB_CCD_SNFG.pdb
6da47c27d5c5be7258c79b52adc9c9a555c3351c548b595aa5ffa1bc249a6c03  01_display/CMBG_29504_GROMACS_RCSB_CCD_all_atoms.mol2
3f7d9a2f3ec81b8169b5d71db7d0ec13b2ec4b05fbeccb3d07f898088212dbe1  01_display/CMBG_29504_GROMACS_RCSB_CCD_all_atoms.pdb
0e1ed41279e79d6760ce59074bfb480b6b8204d9cbdefabbf0cbcfc2ddafc96f  01_display/CMBG_29504_GROMACS_RCSB_CCD_all_atoms.sdf
f373a78ddd641a279b91fcea4f2e88ecb1dc207840a2558ee6acf0a863ae4da5  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
acf065c261fb9db0e55c47e8bcf9f5d4a12a5d813ce44ba3851d3b46d77f9912  02_representative_structure/prod_006.tpr
7a79ef485bc4ad3cb0c38309f536d590172dcea9375cad8912f43ae260f4679d  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
6da47c27d5c5be7258c79b52adc9c9a555c3351c548b595aa5ffa1bc249a6c03  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
3f7d9a2f3ec81b8169b5d71db7d0ec13b2ec4b05fbeccb3d07f898088212dbe1  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
0e1ed41279e79d6760ce59074bfb480b6b8204d9cbdefabbf0cbcfc2ddafc96f  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
e2767f7d38f5a859080cf793578a18b7146062b2a370721ff1bfc64de23379a9  02_representative_structure/representative_native_GLYCAM.pdb
3d53e443cb1d7119ff323349cba8d0175e3f3f7a4a19fc564a184cff0cd4432f  02_representative_structure/topol.top
acf065c261fb9db0e55c47e8bcf9f5d4a12a5d813ce44ba3851d3b46d77f9912  03_exact_restart_after_30ns/prod_006.tpr
10f6b650cc509d246ecac6f2f7fb75840e6bf631d62335c12fe11b98a42e50e4  03_exact_restart_after_30ns/prod_30ns.gro
3d53e443cb1d7119ff323349cba8d0175e3f3f7a4a19fc564a184cff0cd4432f  03_exact_restart_after_30ns/topol.top
d9ee48c1d4aeddd1788615b9e19069bbf49945e32146d4c436e6712bc41c7bb5  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
eef92083a85112aaa1b14c67f016a0f2ee8d0c5a4ce720a41548517d944d4c0f  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
26c5ad0cf171f5eb6bfc80766f8bd9288aecf4b609a1c3672cb1a8dc23acc8c9  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
e2767f7d38f5a859080cf793578a18b7146062b2a370721ff1bfc64de23379a9  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
97e65a7fd8b4714e47fd43340c0d5d1c91e144afa5bd03d0d08e16e431817eb7  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
a01450d9252b0f776601b2885694e606c1d61f433cfd43a8bec7f9ff822a6bb8  05_metadata/cluster_summary.json
e8fdba0b648cdc3537514a428ac67af0c8a82d9d8d3f2153b662d3de9e5853cb  05_metadata/cutoff_scan.tsv
3117d164710c4e3fa66505b58d9f2f9fdb59f9b6bfff5d56161e6d6cf950968a  05_metadata/residue_mapping.tsv
7e9dbf1b8735c65f81c351bcf2248700a08ff646656481074f7531980e9fb99c  05_metadata/workflow_config.json
acf065c261fb9db0e55c47e8bcf9f5d4a12a5d813ce44ba3851d3b46d77f9912  06_forcefield/prod_006.tpr
3d53e443cb1d7119ff323349cba8d0175e3f3f7a4a19fc564a184cff0cd4432f  06_forcefield/topol.top
7ff2afb778793bc3317941ab033495a9dc5b062f0dc2b50fcfdb575ab1e92a2a  PACKAGE_STATUS.json
2c545cb415a8266d93826732b29437298b38e67097e7539d005e74d812f667f5  README_FIRST.txt
