a1448fecb08692080aa568f857b9681583b27e10f7045ce724bf30e54ec81645  01_display/CMBG_146911_GROMACS_RCSB_CCD_SNFG.pdb
549d99a6a4a353ffec7cf069cd1f09cb0cbfee574a2ea0060f7b69b057a1f661  01_display/CMBG_146911_GROMACS_RCSB_CCD_all_atoms.mol2
e064d6a6ec1ada5bc1889dc37760d815a2b003aebced70e711d8da92d8dd7675  01_display/CMBG_146911_GROMACS_RCSB_CCD_all_atoms.pdb
70dc080b3b4ba0d0c44709e2c04940039fc6dfb0efa83b0312a12eba8680109b  01_display/CMBG_146911_GROMACS_RCSB_CCD_all_atoms.sdf
40d10dbbdee274bdfb78ae1bd94ec0f943a4e93a624436866528c99797b16a92  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
1f66f0487d0f024584cfc315561f1914b1405d7b4f935a941579580f19072252  02_representative_structure/prod_006.tpr
a1448fecb08692080aa568f857b9681583b27e10f7045ce724bf30e54ec81645  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
549d99a6a4a353ffec7cf069cd1f09cb0cbfee574a2ea0060f7b69b057a1f661  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
e064d6a6ec1ada5bc1889dc37760d815a2b003aebced70e711d8da92d8dd7675  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
70dc080b3b4ba0d0c44709e2c04940039fc6dfb0efa83b0312a12eba8680109b  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
c6018c84174081ddcb2e8d064ecbb4dd8aa7bc037ba3075083427d32e4a23147  02_representative_structure/representative_native_GLYCAM.pdb
e55ec72bbf69313e0ff8fa46c5799d01f469422d6d63b1389dcbb30ff1654a40  02_representative_structure/topol.top
1f66f0487d0f024584cfc315561f1914b1405d7b4f935a941579580f19072252  03_exact_restart_after_30ns/prod_006.tpr
857ce5b03768ffc465b1b32268d77d62d3a76ec10ccbf1f20060471256ff9888  03_exact_restart_after_30ns/prod_30ns.gro
e55ec72bbf69313e0ff8fa46c5799d01f469422d6d63b1389dcbb30ff1654a40  03_exact_restart_after_30ns/topol.top
77e2289b25e79328ce35023c6fcae2dd5737d6a60fb296a58fd7a1984b0d307d  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
ab953987c88b37d4918d69e2ee23c15bcca5f61ff573693c344cb6c16c45d7fb  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
ab92018a901bbaa52b42ff7cdc372eaa495b3b9c5a792e113c0b80b17d49e021  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
c6018c84174081ddcb2e8d064ecbb4dd8aa7bc037ba3075083427d32e4a23147  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
6df9b076e4f896ba84565c619c3296e463e807f928676eab6198d249c66d40a2  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
6abef5ea88cdc1d69a4c6d70ebd9bcdda31d752b95aea7d860a9cd000c9faa51  05_metadata/cluster_summary.json
5cc0788a03adcd4e091847dce11e4c4c162d59017ad85d3e0766023f912a2fbd  05_metadata/cutoff_scan.tsv
8042aaf74d23d7909ef6a23744aca292bdd850a87c3f9a096718929f2c0b84df  05_metadata/residue_mapping.tsv
bc76d54183ebc956b4801c0d6cf35aba5ded18a7b00ccaef78283a3a7f50be97  05_metadata/workflow_config.json
1f66f0487d0f024584cfc315561f1914b1405d7b4f935a941579580f19072252  06_forcefield/prod_006.tpr
e55ec72bbf69313e0ff8fa46c5799d01f469422d6d63b1389dcbb30ff1654a40  06_forcefield/topol.top
fd98527c90ba08c41fe26c9d05eae859f4fa91520133b21d192c5ea84a3019c7  PACKAGE_STATUS.json
62274f30d2479273e5e733d0c58da14bb9fca34e5b7814092dbfbde9d228c6b4  README_FIRST.txt
