7eb632d9f3b64b79c509dc7bba97a886d6a023ae98b6e7764d2b932587325c80  01_display/CMBG_115483_GROMACS_RCSB_CCD_SNFG.pdb
f11c5bc39ace371d87bfe7dc972efbee5bc3726c2af4cce7b9c800b251e1660d  01_display/CMBG_115483_GROMACS_RCSB_CCD_all_atoms.mol2
3dcdda2857754427eae441404fb45581b6548f9e91d770fdfc20eda9177a67fb  01_display/CMBG_115483_GROMACS_RCSB_CCD_all_atoms.pdb
9a31598a02a7aec171ed01d6c3f112762943cd5d927e2715dbcc8782d1d6e17f  01_display/CMBG_115483_GROMACS_RCSB_CCD_all_atoms.sdf
4530baa78e8288dfdf353d40c035ee60b3124e340e681e3d2f03b010899ad38b  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
6ef3d4cd48adb6a7fcfc28679036a6fb0830a044d0a1fdb58fb041dff987103b  02_representative_structure/prod_006.tpr
7eb632d9f3b64b79c509dc7bba97a886d6a023ae98b6e7764d2b932587325c80  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
f11c5bc39ace371d87bfe7dc972efbee5bc3726c2af4cce7b9c800b251e1660d  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
3dcdda2857754427eae441404fb45581b6548f9e91d770fdfc20eda9177a67fb  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
9a31598a02a7aec171ed01d6c3f112762943cd5d927e2715dbcc8782d1d6e17f  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
dfc068982f24274a617adbdae3482cbdaf675f0ad0c2014d59f83f59c8270df7  02_representative_structure/representative_native_GLYCAM.pdb
a19fc20090a836ee7498382457da5bc03bade181263b96ee82408de87ba2ff1f  02_representative_structure/topol.top
6ef3d4cd48adb6a7fcfc28679036a6fb0830a044d0a1fdb58fb041dff987103b  03_exact_restart_after_30ns/prod_006.tpr
339e25a8f4e6479ae3efba4c4758f69ae7a32236558ddcc5691aa1ee1e3c5e5e  03_exact_restart_after_30ns/prod_30ns.gro
a19fc20090a836ee7498382457da5bc03bade181263b96ee82408de87ba2ff1f  03_exact_restart_after_30ns/topol.top
708f8d9732a1e62b24cc7ec491ac1bd0753d57da469fc45334e88fb73904902c  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
e76ea139ce10cce66db0ea0c235cda26710997fce6ddd42941b4a94467201882  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
9d7644286dbacb73afc02561f27a1b78ad6f026b57f19d9e0e2dc62444259092  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
dfc068982f24274a617adbdae3482cbdaf675f0ad0c2014d59f83f59c8270df7  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
1ad1e9a2e49fb0ad3306c18c7b70c79a65d4fab9d702294afcdaa1d284191375  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
89e2cf99fa8b6de15f530ced2867d21796c11ee5cac828c56a593262aba965d1  05_metadata/cluster_summary.json
d4465ed12d09d3a7af6dfeb8b4dcd5a82ba7b3f941b28d46145250a87a461206  05_metadata/cutoff_scan.tsv
8042aaf74d23d7909ef6a23744aca292bdd850a87c3f9a096718929f2c0b84df  05_metadata/residue_mapping.tsv
019ac72501d6b1502ca095b0bd270ce1f22651c3db75acbdcba72259bab09b68  05_metadata/workflow_config.json
6ef3d4cd48adb6a7fcfc28679036a6fb0830a044d0a1fdb58fb041dff987103b  06_forcefield/prod_006.tpr
a19fc20090a836ee7498382457da5bc03bade181263b96ee82408de87ba2ff1f  06_forcefield/topol.top
78e5b32d6d3e54f9664e7cec35db702112abe6e23671c9925c25a9a58ebbe6c4  PACKAGE_STATUS.json
5c9d092ae512fcf9dfaa7f8f471bb544dd7a45ab80bdbcdd020b52e34c1ed2cd  README_FIRST.txt
