9ace4defea83333b2df23ec8ccde517be570e90f9b67a01ff24e8ee13489c38e  01_display/CMBG_115484_GROMACS_RCSB_CCD_SNFG.pdb
6f7a2e5cde822cbae7599ea57b72dbef1851d2ad50ba7ed78b57edcca393c4d3  01_display/CMBG_115484_GROMACS_RCSB_CCD_all_atoms.mol2
d1c1108d8b34f30079a78808b24b37d70a390eed7a188521d5be8fd1e5518d9a  01_display/CMBG_115484_GROMACS_RCSB_CCD_all_atoms.pdb
e9d6c9c02872f07d0d8efd8bd9366c562f151e90ecf789720fe5840813d8703d  01_display/CMBG_115484_GROMACS_RCSB_CCD_all_atoms.sdf
711b22d7dfba8af8d9f2835815287eecae3fa14ee3171b0a9da04198a0178ed7  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
17501e3f20a96dbd607510cb4573ef28b79ca16e9d4c59f5c2c6b227cd27147d  02_representative_structure/prod_006.tpr
9ace4defea83333b2df23ec8ccde517be570e90f9b67a01ff24e8ee13489c38e  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
6f7a2e5cde822cbae7599ea57b72dbef1851d2ad50ba7ed78b57edcca393c4d3  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
d1c1108d8b34f30079a78808b24b37d70a390eed7a188521d5be8fd1e5518d9a  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
e9d6c9c02872f07d0d8efd8bd9366c562f151e90ecf789720fe5840813d8703d  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
ac4a9898d400ad72621d2a2ea28d5b60ceb63859e667cc587c18bab9c2c6798d  02_representative_structure/representative_native_GLYCAM.pdb
1c4b0643855ca01030e13d4f8949d5755702ccdf6b8538c32a983bc9e5755338  02_representative_structure/topol.top
17501e3f20a96dbd607510cb4573ef28b79ca16e9d4c59f5c2c6b227cd27147d  03_exact_restart_after_30ns/prod_006.tpr
53d3d4030680a9de7808969e9e69fcb197ba571b2a5dad6300c3722b331f1f87  03_exact_restart_after_30ns/prod_30ns.gro
1c4b0643855ca01030e13d4f8949d5755702ccdf6b8538c32a983bc9e5755338  03_exact_restart_after_30ns/topol.top
cf81e1e6102c1de4ab32a2382210dc5cbbd52e205078a9881c51c3079f746301  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
5c4e4891c82c3ef570f1132856e374e1603bf42eb92bc7db166bf2893cb94509  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
5709e32c9bc16bc97674eeea369d0cd6f3f87a2af08a1f86d0a324be1df874a2  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
ac4a9898d400ad72621d2a2ea28d5b60ceb63859e667cc587c18bab9c2c6798d  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
73349f9aebc0168e1260d4cd5d80e68eee0eb4f8163cc7f872be5687850756ea  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
69f92031642a7380080f600ad24ffa20fe3f6dd5e28407713ca9e543c4e9563e  05_metadata/cluster_summary.json
fb9a2cf20da703375db50754d53244a3bbb3ebef464d699b561ee3d42f2a1771  05_metadata/cutoff_scan.tsv
8042aaf74d23d7909ef6a23744aca292bdd850a87c3f9a096718929f2c0b84df  05_metadata/residue_mapping.tsv
a62a58e9a4d5fb3c0ce1a7d91264b0d824d1ea9b863fe934cf70e92827433c4f  05_metadata/workflow_config.json
17501e3f20a96dbd607510cb4573ef28b79ca16e9d4c59f5c2c6b227cd27147d  06_forcefield/prod_006.tpr
1c4b0643855ca01030e13d4f8949d5755702ccdf6b8538c32a983bc9e5755338  06_forcefield/topol.top
9fb918899a95d4e0bdb49ddf72223c65f542d2516ba217ca3eba6cc38f92fc4c  PACKAGE_STATUS.json
4879417f246d2b77361462d652466dc8a49749add0f85f2c662e62685945cf89  README_FIRST.txt
