81d059f99be282e956c20658d1218e31507ee55499324d694441b1402efb2a42  01_display/CMBG_2131_GROMACS_RCSB_CCD_SNFG.pdb
2f623a7c07562165ef23a7df1b4ba396fc2501e8a0c22fb62baf60d21b8c89bc  01_display/CMBG_2131_GROMACS_RCSB_CCD_all_atoms.mol2
359bb5d221c7e86cfea4fbfcf21382419ba363dcf2fb420aaaabed94176c6813  01_display/CMBG_2131_GROMACS_RCSB_CCD_all_atoms.pdb
a3a1aaf8c6616de1f39103f76dc0a5cca12197ee87c1978f8f165898647402d9  01_display/CMBG_2131_GROMACS_RCSB_CCD_all_atoms.sdf
ff6a6c5013f0bf0c4fa581c80190a3a7c2c907f38c3c3dbaa7841650e96c67a9  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
a6ee60aec7ab8b8fb6ecabac3ff09feb73db1606ca897ec1017a5fccfb119714  02_representative_structure/prod_006.tpr
81d059f99be282e956c20658d1218e31507ee55499324d694441b1402efb2a42  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
2f623a7c07562165ef23a7df1b4ba396fc2501e8a0c22fb62baf60d21b8c89bc  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
359bb5d221c7e86cfea4fbfcf21382419ba363dcf2fb420aaaabed94176c6813  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
a3a1aaf8c6616de1f39103f76dc0a5cca12197ee87c1978f8f165898647402d9  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
a44797f26b08b45cf3528b188f88985ce32f20dffa8c57346b67955b12b3edb7  02_representative_structure/representative_native_GLYCAM.pdb
cbad064904ca05634464f193268c492665856d662cd63d9a47221e08561c976b  02_representative_structure/topol.top
a6ee60aec7ab8b8fb6ecabac3ff09feb73db1606ca897ec1017a5fccfb119714  03_exact_restart_after_30ns/prod_006.tpr
dbd77c124ed8752bffb18e579c2cb481c81d6426b009d026962ac1fff8680297  03_exact_restart_after_30ns/prod_30ns.gro
37d8d695ce8e56c0096be42c6aa8baf778991e0c1651d7b6d7c275ad5f7f126d  03_exact_restart_after_30ns/state.cpt
cbad064904ca05634464f193268c492665856d662cd63d9a47221e08561c976b  03_exact_restart_after_30ns/topol.top
aa5da0959b17ef3f4f04a3cf411b333d3a7e4d10f8f64ff2768e83211b9fe3a4  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
4f545fb9c7327946d835a5889aafab033073d9ddfada77ab0141512778cb493b  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
44bde5ff58ab1c2521a36c435f8338c142b61d064f75729a123fa7ac0e4afa7c  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
a44797f26b08b45cf3528b188f88985ce32f20dffa8c57346b67955b12b3edb7  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
4463691e01f4a82f258a65651930be77c9269644aa58e3a579db4b60e9152f68  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
392e9e4f0d1608b4d62412262bbb03d7acfd3dddce41ee6c88ed9a5c1b9db0f1  05_metadata/cluster_summary.json
495bb6f187bc8407e739f2b38f9e7cd468415eaebca25aa56d1a67ce15966895  05_metadata/cutoff_scan.tsv
3c760a53acc173f6fd34c83fcc4401b8d71a5abf84b768f57178871e9719b901  05_metadata/residue_mapping.tsv
83df1e0de950d926470c7c5fcdd8af4f9ffccdb620e7c174df02c2cc3ee41dd7  05_metadata/workflow_config.json
a6ee60aec7ab8b8fb6ecabac3ff09feb73db1606ca897ec1017a5fccfb119714  06_forcefield/prod_006.tpr
cbad064904ca05634464f193268c492665856d662cd63d9a47221e08561c976b  06_forcefield/topol.top
a802464930dd374e9e41a13d263ccd069e6f44097fa6b77dda6951c62c08c45f  PACKAGE_STATUS.json
ee31482b6c03562286df1970020831a8ff3cbf19a04f41063c442f3baffe78cd  README_FIRST.txt
