0d8a0c9b50984f15bd864f74c70f83a3b9d59d2e5a309b44357eaca6c4678e12  01_display/CMBG_9075_GROMACS_RCSB_CCD_SNFG.pdb
22ba68e64639e85119db8298e3c9b4e94fd41bd64cbae891f03fefe3442a25ec  01_display/CMBG_9075_GROMACS_RCSB_CCD_all_atoms.mol2
c8febcc3dfbfeb948f50490b64a787363a5de0dbb9294f561073c2170c33d1dd  01_display/CMBG_9075_GROMACS_RCSB_CCD_all_atoms.pdb
e680b0295218c9993f3090c7361b352ffe47d998cac8bed7b7e2da4a37e0e3dc  01_display/CMBG_9075_GROMACS_RCSB_CCD_all_atoms.sdf
a9475d782e17816f222594c790522b828fb1a4d7061ee4851240a302cd05831f  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
57d54e3b2a9892f42c68c7b2107a85cc101a3a10805e0ee836dad4526323af41  02_representative_structure/prod_006.tpr
0d8a0c9b50984f15bd864f74c70f83a3b9d59d2e5a309b44357eaca6c4678e12  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
22ba68e64639e85119db8298e3c9b4e94fd41bd64cbae891f03fefe3442a25ec  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
c8febcc3dfbfeb948f50490b64a787363a5de0dbb9294f561073c2170c33d1dd  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
e680b0295218c9993f3090c7361b352ffe47d998cac8bed7b7e2da4a37e0e3dc  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
7e1d4451fc9a56ce183dcc9c6ed216156c12456abc0e9887f821c5fa9d9ac76e  02_representative_structure/representative_native_GLYCAM.pdb
fa136673f556c9ec4bc3d92cc3d07a763eea1129f1fbf1fdd9ada14a1b5ba6ba  02_representative_structure/topol.top
57d54e3b2a9892f42c68c7b2107a85cc101a3a10805e0ee836dad4526323af41  03_exact_restart_after_30ns/prod_006.tpr
8df16004b2a7013e50fcf99bc5a5c14bb8d6158395f62c8a6a70d2cb2968a1b4  03_exact_restart_after_30ns/prod_30ns.gro
fa136673f556c9ec4bc3d92cc3d07a763eea1129f1fbf1fdd9ada14a1b5ba6ba  03_exact_restart_after_30ns/topol.top
6db7aae01c7136e023eb3ff677b0ec13721528557b7cda666c95c37a2e585895  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
eed82b8eb8d7f4b5d0b77b6d9951a58b4e24f104f935f8cea2d7a22464ef722c  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
9d79a02fb2863676a10d6481e308033be8043ab72de84cc2bf196e4c97643871  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
7e1d4451fc9a56ce183dcc9c6ed216156c12456abc0e9887f821c5fa9d9ac76e  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
453f6211b7026ff607ccd0400a0441ceb2f9ffb97d93a44a7aa8480b60a5f39a  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
37690f39f025a5e744c8a641c795de9f43b2a371cce18631104570a6ddba791a  05_metadata/cluster_summary.json
14f5ed109e5127286850d6133fea56654d8a413e0f9d30e84024d0fc32fccc5d  05_metadata/cutoff_scan.tsv
8042aaf74d23d7909ef6a23744aca292bdd850a87c3f9a096718929f2c0b84df  05_metadata/residue_mapping.tsv
fc7c27cf81b498ad889a3a7b676be0583866e2d22db3ba684ad3580dd0c6b3bb  05_metadata/workflow_config.json
57d54e3b2a9892f42c68c7b2107a85cc101a3a10805e0ee836dad4526323af41  06_forcefield/prod_006.tpr
fa136673f556c9ec4bc3d92cc3d07a763eea1129f1fbf1fdd9ada14a1b5ba6ba  06_forcefield/topol.top
e9c7aede76707cf1308a4aac10ae6c4c23cd959c44bf10592492a887c91ef2dd  PACKAGE_STATUS.json
28acd0ba1ea52a8cb6fad21d00fb1a145d2ec60f1562577be03f007cf12f7726  README_FIRST.txt
