50f68d35971d060128afd72a769d73d7cf9b982ab5fdadb0da1a8cf57171e075  01_display/CMBG_3319_GROMACS_RCSB_CCD_SNFG.pdb
7280d78f453710add6753a055e9daeef80786e934750792d4608a444dd17a3f1  01_display/CMBG_3319_GROMACS_RCSB_CCD_all_atoms.mol2
fbd2ceb14637a6ab3f4124496246c9d979ec8ac86941cf8105698877b9595312  01_display/CMBG_3319_GROMACS_RCSB_CCD_all_atoms.pdb
8ef1309d4bec68e8238e131ce60ca4c807a8d22900b38f17dbaebf09277cfcd7  01_display/CMBG_3319_GROMACS_RCSB_CCD_all_atoms.sdf
b47c7ae04d9cbe9af9bbd8bcd7b94faed841bc3ccdcbbb52535ecd68318b59f9  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
dbf9eba6af2c6e9c2a09b8233869e1cdd9abf8c9160cc1056cd33f196c4f2305  02_representative_structure/prod_006.tpr
50f68d35971d060128afd72a769d73d7cf9b982ab5fdadb0da1a8cf57171e075  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
7280d78f453710add6753a055e9daeef80786e934750792d4608a444dd17a3f1  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
fbd2ceb14637a6ab3f4124496246c9d979ec8ac86941cf8105698877b9595312  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
8ef1309d4bec68e8238e131ce60ca4c807a8d22900b38f17dbaebf09277cfcd7  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
c4ea5d37242f9003e208cd12c61e1df2a9574a70998b9c4b32c0326f94e09726  02_representative_structure/representative_native_GLYCAM.pdb
8fad90c190277699aef9d98a02327a3618585ed9fe9b25871352503705b58fe7  02_representative_structure/topol.top
dbf9eba6af2c6e9c2a09b8233869e1cdd9abf8c9160cc1056cd33f196c4f2305  03_exact_restart_after_30ns/prod_006.tpr
a1af809e41ea0ab08a25ef2cc33a5812440a4e778be645d4468374de52b05f69  03_exact_restart_after_30ns/prod_30ns.gro
8fad90c190277699aef9d98a02327a3618585ed9fe9b25871352503705b58fe7  03_exact_restart_after_30ns/topol.top
613d1a2ad08fa816e26149425fb9f99d2606820abc53aa5efd605341fc47b6cb  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
303cb8c059af6e49089b833c8ae12d7ab419b5c111dc917b5bb24f669c8b1c8d  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
9a526d539cf0a48e52fb063d04b9ff4bddf4e0884f6fd89add8cb39dbfabcf5c  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
c4ea5d37242f9003e208cd12c61e1df2a9574a70998b9c4b32c0326f94e09726  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
3103eb0d5474444263e4b24eac395287e9a3e9c6d80d8ea2490d1b0cacbd02ef  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
8e10f8f7da3b3f87a34f66a7c7a2faccee0ff188d6d2e57fc9b4a2769c444406  05_metadata/cluster_summary.json
f601fc950838acb60a94057d9379da11143c22202b206856680f9d0a0089951a  05_metadata/cutoff_scan.tsv
8042aaf74d23d7909ef6a23744aca292bdd850a87c3f9a096718929f2c0b84df  05_metadata/residue_mapping.tsv
9df7d900bb8f75f67e335e736dd2731e48f619070f678b94a509ca3b497b7f01  05_metadata/workflow_config.json
dbf9eba6af2c6e9c2a09b8233869e1cdd9abf8c9160cc1056cd33f196c4f2305  06_forcefield/prod_006.tpr
8fad90c190277699aef9d98a02327a3618585ed9fe9b25871352503705b58fe7  06_forcefield/topol.top
5b56241c58cead2e5da2560ed3f1f7b05164b43d6d7340aa0441550ba9a5002c  PACKAGE_STATUS.json
cf7be7b51f996270ce0981e89384d9875c8c105c7f44ebe7e28ef71797ae0518  README_FIRST.txt
