6da320e93e4fe6459a63c725f069e72d70c96ebed65efdbdef5917e061d0f78b  01_display/CMBG_26958_GROMACS_RCSB_CCD_SNFG.pdb
5015fb5c78d47d3b80c8f1f9cb46fb2733ee535a8955656d736d7f6e932a663b  01_display/CMBG_26958_GROMACS_RCSB_CCD_all_atoms.mol2
eee63a4b0b2800e63160bdd9dd4c047e13e9f48c74828db52d184346ed15bb73  01_display/CMBG_26958_GROMACS_RCSB_CCD_all_atoms.pdb
29e59195d265a131d80262bf10582f5364dda0ff76538ea917b9b70fe7dc5920  01_display/CMBG_26958_GROMACS_RCSB_CCD_all_atoms.sdf
e75e7531eb038eac6b95b80399641edbce825028c0ef17d51596d613b9496041  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
e9166c4814be9604ec2841696816f48be9f92b448464e806180f32279c0b16e0  02_representative_structure/prod_006.tpr
6da320e93e4fe6459a63c725f069e72d70c96ebed65efdbdef5917e061d0f78b  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
5015fb5c78d47d3b80c8f1f9cb46fb2733ee535a8955656d736d7f6e932a663b  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
eee63a4b0b2800e63160bdd9dd4c047e13e9f48c74828db52d184346ed15bb73  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
29e59195d265a131d80262bf10582f5364dda0ff76538ea917b9b70fe7dc5920  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
159f3a5198d4beb7bcf2321c410462d31dc61cb5fb2868e5d211e728f2881265  02_representative_structure/representative_native_GLYCAM.pdb
f2b966d8b4d96bcafeef43e406ff4bbe1b7bc1ff15ec860ab2d8f7f929db9d24  02_representative_structure/topol.top
e9166c4814be9604ec2841696816f48be9f92b448464e806180f32279c0b16e0  03_exact_restart_after_30ns/prod_006.tpr
7d70e94366a59e0e67f87d07a46b6045492103c1276fedd0efaa2fbc0a17cfae  03_exact_restart_after_30ns/prod_30ns.gro
f2b966d8b4d96bcafeef43e406ff4bbe1b7bc1ff15ec860ab2d8f7f929db9d24  03_exact_restart_after_30ns/topol.top
f518ded3a0c14db851c18322bdc0a248a259211f2284d41ea8487b1127ad7f7f  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
97f8b114116291b2a7decaa0650f9641a780726b4e233732d57a5411e8226b26  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
02ec572be5f3cd89f2651c6abfc6f730bf53a7946b377d3a6640379e5dcd00f3  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
159f3a5198d4beb7bcf2321c410462d31dc61cb5fb2868e5d211e728f2881265  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
a255d84f918a6323a6bf872cf36883599e0b2a1e2d8dff334894984dbbf14169  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
64ae00c29db1923adc075e63d30838bccfa68aeb19534d2c6d3e7f78d7c9bd23  05_metadata/cluster_summary.json
91cacdb062211f9613b32f8b6ef368bbc9c21f005ad93224adc350791f8c0f75  05_metadata/cutoff_scan.tsv
8042aaf74d23d7909ef6a23744aca292bdd850a87c3f9a096718929f2c0b84df  05_metadata/residue_mapping.tsv
75ad4a76f96a322499bc98c260f1401d739e6ac329d36d6b78551e93273ed1d1  05_metadata/workflow_config.json
e9166c4814be9604ec2841696816f48be9f92b448464e806180f32279c0b16e0  06_forcefield/prod_006.tpr
f2b966d8b4d96bcafeef43e406ff4bbe1b7bc1ff15ec860ab2d8f7f929db9d24  06_forcefield/topol.top
148f1706bcfe08d54990ab44d3f3e686cb1ac5faf32b1fb42386718ff0979f4b  PACKAGE_STATUS.json
edf8f993c75803a6225f0b0e3c633f5225299c9b3eb97c8c1711e7c9d52f8bc5  README_FIRST.txt
