d2b41ad92eba5eb45d29483fe0987a8d1a70069de52b77c129409cc038e92a3b  01_display/CMBG_110354_GROMACS_RCSB_CCD_SNFG.pdb
9ba2e3736bc3198a100561aee726a5013213e671f558fd22fdf6bb5cbbce49c0  01_display/CMBG_110354_GROMACS_RCSB_CCD_all_atoms.mol2
c65d02bd5b84fa0c188a7d63515f7687226d444cb02436813f748687ab144fdb  01_display/CMBG_110354_GROMACS_RCSB_CCD_all_atoms.pdb
d9384864ec01a7268388cda6102e557e5b74aaa574b6104117a0e04c2d8577dd  01_display/CMBG_110354_GROMACS_RCSB_CCD_all_atoms.sdf
c85792eb75aaddc667cfd7506aaa78b0cb657f0f36263efc5e7570cc53c38c3e  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
b0cb1b789f6b517b90a2cdf24375e5fcf4a3e77a0b1cd33abeb02915f6291ba5  02_representative_structure/prod_006.tpr
d2b41ad92eba5eb45d29483fe0987a8d1a70069de52b77c129409cc038e92a3b  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
9ba2e3736bc3198a100561aee726a5013213e671f558fd22fdf6bb5cbbce49c0  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
c65d02bd5b84fa0c188a7d63515f7687226d444cb02436813f748687ab144fdb  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
d9384864ec01a7268388cda6102e557e5b74aaa574b6104117a0e04c2d8577dd  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
b229b970e6364f253271af4f83e6d56935f5ef14330f7c21de56164b4007b7a3  02_representative_structure/representative_native_GLYCAM.pdb
91b4f834c6f054dfab0ebb675899d00bec61d80c3f2fcd64cee82c1541696842  02_representative_structure/topol.top
b0cb1b789f6b517b90a2cdf24375e5fcf4a3e77a0b1cd33abeb02915f6291ba5  03_exact_restart_after_30ns/prod_006.tpr
0f47e4c9fb7ca0a75c3512ca828497436cf0cd4e274ccce3c06cb37cd99e6310  03_exact_restart_after_30ns/prod_30ns.gro
91b4f834c6f054dfab0ebb675899d00bec61d80c3f2fcd64cee82c1541696842  03_exact_restart_after_30ns/topol.top
c0f8dc492c2d03ebfbe0db1d9c0e37ae9bda059509e9ca16d66bdf27dc190478  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
88f0b8b6c7b099c899da3e1a956f5466632e5801b77c91900719eab70f5c68f2  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
b203db6b09402629c8848f0ad649611659714ecefb94622196492c6b263d1576  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
b229b970e6364f253271af4f83e6d56935f5ef14330f7c21de56164b4007b7a3  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
981e3dc7cdc2a3dc3307b4b53d5dc4c6b661a1e7cdc35ad07085199553f99f5e  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
1a8b7bc8136d2802b6beb1c1237cab704812d3fb9862f4f28d6725ec64bad5dc  05_metadata/cluster_summary.json
a8e9c77665cdb2a2cb0492f39ee60714e6969f2ccb17734e8f6effb0d2a05318  05_metadata/cutoff_scan.tsv
8042aaf74d23d7909ef6a23744aca292bdd850a87c3f9a096718929f2c0b84df  05_metadata/residue_mapping.tsv
8a5f00536d59be4cac99df83401eb358fe762faf9440a71f1126ef91dafc04d4  05_metadata/workflow_config.json
b0cb1b789f6b517b90a2cdf24375e5fcf4a3e77a0b1cd33abeb02915f6291ba5  06_forcefield/prod_006.tpr
91b4f834c6f054dfab0ebb675899d00bec61d80c3f2fcd64cee82c1541696842  06_forcefield/topol.top
51d758730d407e643fd45e21edc19c7922a70b57f41aedeef1da34d0d16e1672  PACKAGE_STATUS.json
2a3cb49a475d0fe0b4c68cffa95da6ac1bc0c0a3bb97ed855275f8442d8062bd  README_FIRST.txt
