5694cd5d53400f760c24467e7789034b8f891402028415b7c35deff7d42062dd  01_display/CMBG_30199_GROMACS_RCSB_CCD_SNFG.pdb
8ca0e762d822dd4104babf7e9938ff3c9f6b23c8d94e5561f22c77d222c70472  01_display/CMBG_30199_GROMACS_RCSB_CCD_all_atoms.mol2
57a211d2462a3458d9961ba4cf3b7227fca3c7c9afbf5f100698e891a21689f7  01_display/CMBG_30199_GROMACS_RCSB_CCD_all_atoms.pdb
df6b022af8b215bb2ad143f0a2fcd6539bd671b3f7b6fe5a49969ec2ce71aa01  01_display/CMBG_30199_GROMACS_RCSB_CCD_all_atoms.sdf
7b5165a11862642263987b879e144627e5d5dfd67a608c1029230ba6694309e9  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
170c2fd7583e09e0a2d16232d4fa93575ea7204a6d3f2a3ef87f3e095824ad61  02_representative_structure/prod_006.tpr
5694cd5d53400f760c24467e7789034b8f891402028415b7c35deff7d42062dd  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
8ca0e762d822dd4104babf7e9938ff3c9f6b23c8d94e5561f22c77d222c70472  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
57a211d2462a3458d9961ba4cf3b7227fca3c7c9afbf5f100698e891a21689f7  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
df6b022af8b215bb2ad143f0a2fcd6539bd671b3f7b6fe5a49969ec2ce71aa01  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
e275217ce08614f42c862e733767af518609e12330249ad18cd9d16f40a35fb8  02_representative_structure/representative_native_GLYCAM.pdb
c8d805118279e992327c34e953a69b3c230b87e6043ab879b332cf1b2f60cf23  02_representative_structure/topol.top
170c2fd7583e09e0a2d16232d4fa93575ea7204a6d3f2a3ef87f3e095824ad61  03_exact_restart_after_30ns/prod_006.tpr
3078f847e1e6bb6049ded2ed452f48a44ec115597c1b96b4750beffc33d8b9b4  03_exact_restart_after_30ns/prod_30ns.gro
e8c4102b160fe7193a57b1842a4155fffef78302ee54357604b6d657f3181333  03_exact_restart_after_30ns/state.cpt
c8d805118279e992327c34e953a69b3c230b87e6043ab879b332cf1b2f60cf23  03_exact_restart_after_30ns/topol.top
fb1fb52204676891aa8a59164edec1c426282e2be0cb0e84c3ef7030ddcb8925  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
c8d80bf94bcc2dd742dfde256411b427bc7c2b4cf50de8a567671ef355bb9778  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
95352f1cd835c8f29a59f1e77a627e33d1eb0677c42032ec9577ec7fd1996d1a  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
e275217ce08614f42c862e733767af518609e12330249ad18cd9d16f40a35fb8  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
1aea77e97887d105cc51442390c4f0504d55dfe95d75b7d0e385a95aa7ef9172  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
3d7e8de59e53fe7e4cb0c96bfc60c57f455c0de44eb5295a97fbeffa3efd0344  05_metadata/cluster_summary.json
be6142ed41c783dc2786953088f6843dfc26a169d99977b7dbe2a09b8ae59e22  05_metadata/cutoff_scan.tsv
3a6cbdb7c175a8c15ca6ebbaa5d77807b34229efd2064d39374986c392300a7d  05_metadata/residue_mapping.tsv
281d3dcc52e2115f98501514ce50eaf2c07463678ab1f8586bda974998132de2  05_metadata/workflow_config.json
170c2fd7583e09e0a2d16232d4fa93575ea7204a6d3f2a3ef87f3e095824ad61  06_forcefield/prod_006.tpr
c8d805118279e992327c34e953a69b3c230b87e6043ab879b332cf1b2f60cf23  06_forcefield/topol.top
a812d640d2bb88d9dbcfead4e798d807c25bf5ca8b0dce021373d154b879c45c  PACKAGE_STATUS.json
306e99132ba38474f558c4d042a5a9c12e9a7e137a345350b87b3fe01f820a8d  README_FIRST.txt
