3d21e2b350405db2c40276ab3e52f6c048e6bc1fae29aec38ccc888f5aa4ee4a  01_display/CMBG_129366_GROMACS_RCSB_CCD_SNFG.pdb
d24f427fb4dc046d49937d5238e1f7ee901920c03503162e41d426c1630f7fdd  01_display/CMBG_129366_GROMACS_RCSB_CCD_all_atoms.mol2
6f5193477a4ff571466b589f188c999058476907718bd8727d7fa7487b6442fe  01_display/CMBG_129366_GROMACS_RCSB_CCD_all_atoms.pdb
d6dee342d363daa8165086af9bc97f118396f2eb5310aeda1fa32f1b13357d4c  01_display/CMBG_129366_GROMACS_RCSB_CCD_all_atoms.sdf
6f9286c73bf4a7af0cf36545d6aeb33d4299d6480e54162e7efddbc4b35ca792  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
64db6a72b6ffbb25d03f4283e8713b7b6f734fa0b8a1e9ae747f2c22d06874f8  02_representative_structure/prod_006.tpr
3d21e2b350405db2c40276ab3e52f6c048e6bc1fae29aec38ccc888f5aa4ee4a  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
d24f427fb4dc046d49937d5238e1f7ee901920c03503162e41d426c1630f7fdd  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
6f5193477a4ff571466b589f188c999058476907718bd8727d7fa7487b6442fe  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
d6dee342d363daa8165086af9bc97f118396f2eb5310aeda1fa32f1b13357d4c  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
00f5f3b2735f3185411b9104d9014f90e61f74b835a944685ba061708e7c6d08  02_representative_structure/representative_native_GLYCAM.pdb
ec961f883b6bd4d0cdf786f083e763a917f97552d668c20080feca067225b419  02_representative_structure/topol.top
64db6a72b6ffbb25d03f4283e8713b7b6f734fa0b8a1e9ae747f2c22d06874f8  03_exact_restart_after_30ns/prod_006.tpr
d30336c9fd82f311436bd93ed3f1b17a9669dab48a24b1174933c3ea07da1486  03_exact_restart_after_30ns/prod_30ns.gro
ec961f883b6bd4d0cdf786f083e763a917f97552d668c20080feca067225b419  03_exact_restart_after_30ns/topol.top
40dc3533610c06b143c1cfacfd7ef80fef4256c1f8f9d2251c18e63b13a4611e  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
cfdb6695ec8bb4c58ce8f392a3398d0c7295402ad2f586920326fea60f750017  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
58f1e48bc9e0350d2de28e0f6b3b520cb72a2bea4f09fef47ca926781d3253f7  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
00f5f3b2735f3185411b9104d9014f90e61f74b835a944685ba061708e7c6d08  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
b3b0cee43810244482ec5208602a23112e20d97268ef1f9fb0f71dc788acfef7  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
7ebbe1075c64290ca1346b83c67af5184cd19c42dba367b391d209e33d364369  05_metadata/cluster_summary.json
8adf4fc808733e829e2f17f9f6be94f02da72d36f79db003fe03face2a1c2c82  05_metadata/cutoff_scan.tsv
5829ef73f6e7f956b5be70ac6174cb17a04d17f48e32171dd4171714bcfb5dd3  05_metadata/residue_mapping.tsv
d656b89a7139174ef0970d28639b8ae142999decec0a29d743effec4ca311510  05_metadata/workflow_config.json
64db6a72b6ffbb25d03f4283e8713b7b6f734fa0b8a1e9ae747f2c22d06874f8  06_forcefield/prod_006.tpr
ec961f883b6bd4d0cdf786f083e763a917f97552d668c20080feca067225b419  06_forcefield/topol.top
6926c56afda4d062b922c6256b786c7aab65f52d11389adfae09d51148b0e767  PACKAGE_STATUS.json
638c779f01807208b87f783cfd4d589d95129fbb4dd1b80d5ffc94dd0abfb23d  README_FIRST.txt
