5483b911387aa2eaf259960ab6ca209fcc18d9a56d72db8ca91aca994e7451bc  01_display/CMBG_20933_GROMACS_RCSB_CCD_SNFG.pdb
040db6dded686d45cff482dde257ad2ed561f813c1054e66cf44b5319621d657  01_display/CMBG_20933_GROMACS_RCSB_CCD_all_atoms.mol2
12c434745d7412650d77eba10836d556673a5e99bfbe208faf5c076358cdc00d  01_display/CMBG_20933_GROMACS_RCSB_CCD_all_atoms.pdb
7aae103e24d2c560370a7bd26863e299b580d376f84e0fefd86ad55554a316ea  01_display/CMBG_20933_GROMACS_RCSB_CCD_all_atoms.sdf
99b4033bddbb4e6a913e8a692991443abbc07a506e020b5a168076ef8a221f8a  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
cc0ba80f368a58366c0512e2121b6a6053c8cae65c0bf9d52e7b38f7c2f2f95a  02_representative_structure/prod_006.tpr
5483b911387aa2eaf259960ab6ca209fcc18d9a56d72db8ca91aca994e7451bc  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
040db6dded686d45cff482dde257ad2ed561f813c1054e66cf44b5319621d657  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
12c434745d7412650d77eba10836d556673a5e99bfbe208faf5c076358cdc00d  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
7aae103e24d2c560370a7bd26863e299b580d376f84e0fefd86ad55554a316ea  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
0d384c01d44058e536bb117274ae46ec3daa19a2e7951a6873b6fa2352d2dfae  02_representative_structure/representative_native_GLYCAM.pdb
1c62f3a62d8623c6612cb721fac7b643f4e49c3bd1cbec90129144daf9092d84  02_representative_structure/topol.top
cc0ba80f368a58366c0512e2121b6a6053c8cae65c0bf9d52e7b38f7c2f2f95a  03_exact_restart_after_30ns/prod_006.tpr
2d4e9f93e42750bbafe2280dce31bb136a07e0fbdcfff6f364c2a72f118a53b9  03_exact_restart_after_30ns/prod_30ns.gro
87a31b0c3feaeef7e933fdc198120947040f32b13bd5bcc88282b9b61c479260  03_exact_restart_after_30ns/state.cpt
1c62f3a62d8623c6612cb721fac7b643f4e49c3bd1cbec90129144daf9092d84  03_exact_restart_after_30ns/topol.top
fecc31c8c1929d7c770cefcdcc8dea4ad1a8c56fcdb96cf9ac18d863ae4196f0  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
d923ee8a4b1a398cd60fe9af250f4f50f2a607e60a22a497ab301acff0401c76  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
1b1d632c430dd77fa12c9cc3ee98b56e9b57c518da44c706654165770dc647b3  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
0d384c01d44058e536bb117274ae46ec3daa19a2e7951a6873b6fa2352d2dfae  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
136f0aec0626efbedd3ba1f77ecab73f79647d85b910518b9d15da86e3bb898b  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
f55853640e4257fc929151b54ab7951914612a67e13e81781ecd85a6a8277e58  05_metadata/cluster_summary.json
3bcf4cb1ce2588f7a43dde2d1689d46886edde071b5474dacacbcc42a590c7ed  05_metadata/cutoff_scan.tsv
7a4142fe1ffa3414ad337efc2ea1a61459a94d47f521c4a924be0373b5e7eaf7  05_metadata/residue_mapping.tsv
6b5ac428e06b0d4c877e068453bc51b47a0d604bbd0e6bf0debc19fc5ec29779  05_metadata/workflow_config.json
cc0ba80f368a58366c0512e2121b6a6053c8cae65c0bf9d52e7b38f7c2f2f95a  06_forcefield/prod_006.tpr
1c62f3a62d8623c6612cb721fac7b643f4e49c3bd1cbec90129144daf9092d84  06_forcefield/topol.top
d295a0a9556d1e87dd0041ce3255d93354c6c04a71d0d4ef5d299af137ebd9a5  PACKAGE_STATUS.json
38bd3ce606130012b524f33054b77860df5f5ae5dfda60aded20f559ce92a79e  README_FIRST.txt
