a8ec30cebee2388f1f5407a5bbc9ea9a6c38062772c7dce258be56408854a7fe  01_display/CMBG_8550_GROMACS_RCSB_CCD_SNFG.pdb
f97335128e5c891c0812929f262284d17ae54688fba427562c6836759fd27db4  01_display/CMBG_8550_GROMACS_RCSB_CCD_all_atoms.mol2
1f7fb6b46c961ae822c2faa4b36462ed27df8b9fc688d614f371b0c94f1b6088  01_display/CMBG_8550_GROMACS_RCSB_CCD_all_atoms.pdb
083c5f4f77cad4778ae76c6e1a9965d521a5b0159999dbfe1b789381b70df094  01_display/CMBG_8550_GROMACS_RCSB_CCD_all_atoms.sdf
81347b2aa6437bfa89efe1e146ecdde096a7f56260f3a8f3ffba3531c91da5a8  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
d5484d449aa16de95f2b54fa28863612b7b1d8c089a96f59c77094d21627d720  02_representative_structure/prod_006.tpr
a8ec30cebee2388f1f5407a5bbc9ea9a6c38062772c7dce258be56408854a7fe  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
f97335128e5c891c0812929f262284d17ae54688fba427562c6836759fd27db4  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
1f7fb6b46c961ae822c2faa4b36462ed27df8b9fc688d614f371b0c94f1b6088  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
083c5f4f77cad4778ae76c6e1a9965d521a5b0159999dbfe1b789381b70df094  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
8cb08728723ee67ef898d8eab3123049660a06d868a77c4c5d09c35dd27fdaa7  02_representative_structure/representative_native_GLYCAM.pdb
6f9e05281a7ec09b449e335dbb3a96180ee6232d5ecc3add9fdd1ae0a1695e61  02_representative_structure/topol.top
d5484d449aa16de95f2b54fa28863612b7b1d8c089a96f59c77094d21627d720  03_exact_restart_after_30ns/prod_006.tpr
aa8082b393a88b2077c9052c5c196ba61fadd6a7f5043f8f205876b80854bfe9  03_exact_restart_after_30ns/prod_30ns.gro
fed04c9ab2ad48d16cd0b0a005b0e64a5e1d909ab26c12ba7da39d1b5b6f6c20  03_exact_restart_after_30ns/state.cpt
6f9e05281a7ec09b449e335dbb3a96180ee6232d5ecc3add9fdd1ae0a1695e61  03_exact_restart_after_30ns/topol.top
2127f038d8058eb3227b4fb2e8f853d50cbdbbdd404d0199fa362463c4578a2c  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
a778a2298d88b700fa171923f7dc8508bdd36f0fc58486ce75e29690b4a49475  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
e350fbdf903319e157dfa851b8530b532a58f536d09e0559b85c32fdfc3fd039  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
8cb08728723ee67ef898d8eab3123049660a06d868a77c4c5d09c35dd27fdaa7  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
4a54e300902bd241184d5817ef4ba458506397603d939817d3590cffcab6c85c  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
9309e5ba921b31c00dea2ecc582e923a574320304fdab213228ea52811d06924  05_metadata/cluster_summary.json
416d50dbb89a611f2a6882dc6fa0836b736dee52a8548c81b9f8d2667acab1f9  05_metadata/cutoff_scan.tsv
12f59008cf29a7d41bad883b32649ec541db0af647bb5b525c912c0c91a342fe  05_metadata/residue_mapping.tsv
5153fb07078fae466e7786a91e5ba7560599f6267a41fd0be1438e0a5f06b8ab  05_metadata/workflow_config.json
d5484d449aa16de95f2b54fa28863612b7b1d8c089a96f59c77094d21627d720  06_forcefield/prod_006.tpr
6f9e05281a7ec09b449e335dbb3a96180ee6232d5ecc3add9fdd1ae0a1695e61  06_forcefield/topol.top
7c91bee15a417ba4055c66b515835dba76a5334ce3c6baec933840a2a59fad1a  PACKAGE_STATUS.json
bcb6e37c6908c2c3d089abd29cb2317b419a340afa09814ea5eaa38e32d6bce5  README_FIRST.txt
