914a0d01a99591f20f2b5e594f11506a159cea36180570674c2bb56a7961b11d  01_display/CMBG_21833_GROMACS_RCSB_CCD_SNFG.pdb
e343ec9872a2b847862556b8ad03d7e1860c8e3800b98ef9cacf70f3ea2cace3  01_display/CMBG_21833_GROMACS_RCSB_CCD_all_atoms.mol2
00d05432d01368abbb8c50b06e5fbef15d28a32458a0fdd9278e50047ebecfe6  01_display/CMBG_21833_GROMACS_RCSB_CCD_all_atoms.pdb
a903dbb27854d723d94df64dd5f408dbce4fe7e905f5947748856b528b49a711  01_display/CMBG_21833_GROMACS_RCSB_CCD_all_atoms.sdf
ef4c6ba902566f70d90462f68d2c609575320973f2a9ce561b51e7d459a2b0f2  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
8594a95742aa8f4dbcacec2f10c93c1f3b69fbf5058abe197e7fab751e78855c  02_representative_structure/prod_006.tpr
914a0d01a99591f20f2b5e594f11506a159cea36180570674c2bb56a7961b11d  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
e343ec9872a2b847862556b8ad03d7e1860c8e3800b98ef9cacf70f3ea2cace3  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
00d05432d01368abbb8c50b06e5fbef15d28a32458a0fdd9278e50047ebecfe6  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
a903dbb27854d723d94df64dd5f408dbce4fe7e905f5947748856b528b49a711  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
bf4eddab01b541658edda8393660b2eab508b0a3cff710d4095d81d032a3176d  02_representative_structure/representative_native_GLYCAM.pdb
ca439f3010756a251dafe1daf58b06f754905335fcb8ea6ff19aee6987eb5492  02_representative_structure/topol.top
8594a95742aa8f4dbcacec2f10c93c1f3b69fbf5058abe197e7fab751e78855c  03_exact_restart_after_30ns/prod_006.tpr
cddd700102e9e311c3ea601f8aefbf504f3019ae208ea3e193caf623321707cf  03_exact_restart_after_30ns/prod_30ns.gro
d48aedc9a0db4ca37f7e2ed4bbb6a5b809a24899ba3007c22978af0903517f2d  03_exact_restart_after_30ns/state.cpt
ca439f3010756a251dafe1daf58b06f754905335fcb8ea6ff19aee6987eb5492  03_exact_restart_after_30ns/topol.top
c5c6b489231b5502089f9d7ed1cf0b76a08b290ea1ee374adce37c494f280411  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
90323fbc05a9042f9ed66fc73ae2f6bebf318856a492df17c5e59ec8eefe131d  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
02d03a856cb8fe66d28a9597f9b6df305096040d3d6466b8476e39cafa983df1  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
bf4eddab01b541658edda8393660b2eab508b0a3cff710d4095d81d032a3176d  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
1985b1d11dee23dd3b5dac031e6bbe704b46c253e17e656979ce735e86c5f32d  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
504d689e55b73d108af1571d8ac454586a97cc80efc95f2aa91e60bc2afad478  05_metadata/cluster_summary.json
ef2184bcdb88cac4afcb28d934fd32a635e80a38cb9ca81df51bb3db0283dcb8  05_metadata/cutoff_scan.tsv
7a4142fe1ffa3414ad337efc2ea1a61459a94d47f521c4a924be0373b5e7eaf7  05_metadata/residue_mapping.tsv
e2eb48fbbc0a558ef83e930964196090f4642618e491135b95e8d76fdcec8d16  05_metadata/workflow_config.json
8594a95742aa8f4dbcacec2f10c93c1f3b69fbf5058abe197e7fab751e78855c  06_forcefield/prod_006.tpr
ca439f3010756a251dafe1daf58b06f754905335fcb8ea6ff19aee6987eb5492  06_forcefield/topol.top
6d0c9730410b7731166faf4fb9d9a9cecc69b4ea4ce60f42e8d743779fcd7817  PACKAGE_STATUS.json
0540028f7c6c19ab16f9eade22faa479fcabb1bdd4bb0138ada7992ca4957210  README_FIRST.txt
