b1a3ad04204ecbff656ae2aab3127b2ed5534c91a47a1d0bff9e07148c87cc8f  01_display/CMBG_49302_GROMACS_RCSB_CCD_SNFG.pdb
17b6554222d6d7a057e48fb9c56cc21ee937799bbe9a685b7d4667d06cc1e874  01_display/CMBG_49302_GROMACS_RCSB_CCD_all_atoms.mol2
df2c32463157df32fdf04ee9fcd0252338c2393098ee0216cf0cff7c7ffed3a9  01_display/CMBG_49302_GROMACS_RCSB_CCD_all_atoms.pdb
8c948e2659b2e3840ebb4ef929e3f66599e78119880cef6468a556bee03dcb7c  01_display/CMBG_49302_GROMACS_RCSB_CCD_all_atoms.sdf
58462e5dc9c1a5c53a18c1d5a2e3f7d1c38c967ce36b943b79952e7c0abcb06b  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
e81104fa7e63ed410d20f51549139db0913ca1282f4c76d340f38a18b3d89693  02_representative_structure/prod_006.tpr
b1a3ad04204ecbff656ae2aab3127b2ed5534c91a47a1d0bff9e07148c87cc8f  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
17b6554222d6d7a057e48fb9c56cc21ee937799bbe9a685b7d4667d06cc1e874  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
df2c32463157df32fdf04ee9fcd0252338c2393098ee0216cf0cff7c7ffed3a9  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
8c948e2659b2e3840ebb4ef929e3f66599e78119880cef6468a556bee03dcb7c  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
9979833e9eb601048af49e932ae5487c60b3463e25d468b78bf14df912639286  02_representative_structure/representative_native_GLYCAM.pdb
c1dfb89058d599e6ad945342a64e13ed2333ddeb70a6b3b0bfc29b433de4445f  02_representative_structure/topol.top
e81104fa7e63ed410d20f51549139db0913ca1282f4c76d340f38a18b3d89693  03_exact_restart_after_30ns/prod_006.tpr
996098cabe2025430ffad6b570fd7b8afa193328c8bee2b196f5e8e333eafbc5  03_exact_restart_after_30ns/prod_30ns.gro
c1dfb89058d599e6ad945342a64e13ed2333ddeb70a6b3b0bfc29b433de4445f  03_exact_restart_after_30ns/topol.top
1c2308b01e355c344e5743870f336397d9f5b7bcaf747fe88791e017d18a8ca0  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
ad1c6d85372fcb499fd0cdc42e41f2ae3224d28f6799f73d10be4ff1921011ff  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
e712d7ffa0ba0dfa531f6b30a4721e99aedf20f346b8ded3662dd7dc6f2959c0  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
9979833e9eb601048af49e932ae5487c60b3463e25d468b78bf14df912639286  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
8604398bf53164e92db4422f76f1625c6752f32e234be7120f35d08421125309  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
ae24938799045daf3f0caec136a51fdda9d6a9b8df05c1f7993fe98880523876  05_metadata/cluster_summary.json
4e2f4a757b1ed8632f1a2b9e803eeb0fdbc0c91b8a559217b79982a52b518c84  05_metadata/cutoff_scan.tsv
8042aaf74d23d7909ef6a23744aca292bdd850a87c3f9a096718929f2c0b84df  05_metadata/residue_mapping.tsv
2ee137e7de38110d166f429f03c6d9e238bdacee29fd3e6777c1b332ec4822a7  05_metadata/workflow_config.json
e81104fa7e63ed410d20f51549139db0913ca1282f4c76d340f38a18b3d89693  06_forcefield/prod_006.tpr
c1dfb89058d599e6ad945342a64e13ed2333ddeb70a6b3b0bfc29b433de4445f  06_forcefield/topol.top
99aaddfd6d33194020ee832ddcd97d59b2164c7a9eb36f9f79ff0b4721becb27  PACKAGE_STATUS.json
4794b1054bbdb26a14fc3e9e4568e4d9be0fc23c4271e3c35508a43fa9eadc58  README_FIRST.txt
