4c8dc2a39ca2cc13473203d680a778799c9d98bd2ebcb0a7059792c99499b756  01_display/CMBG_104102_GROMACS_RCSB_CCD_SNFG.pdb
6f422cfbb772601df0e38e859be8db9fc3f41e5e81528caec0ae8813f1cab4b9  01_display/CMBG_104102_GROMACS_RCSB_CCD_all_atoms.mol2
ad1e073351a96b4162b4126db826f2c28f638e26d36632161b178bca4fb2cf6c  01_display/CMBG_104102_GROMACS_RCSB_CCD_all_atoms.pdb
d1ab13b4d17f0b0b4c24fabfe0ac0fecc3ed9f7882c83eade541c3d17bb89e7c  01_display/CMBG_104102_GROMACS_RCSB_CCD_all_atoms.sdf
71e647bf49372ac3e8b674a645d2873773283e1b61548b10c934958d909a8498  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
c77158c9edab0117f527fb9e958e60593ca65767f538b0973e362a47881e380d  02_representative_structure/prod_006.tpr
4c8dc2a39ca2cc13473203d680a778799c9d98bd2ebcb0a7059792c99499b756  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
6f422cfbb772601df0e38e859be8db9fc3f41e5e81528caec0ae8813f1cab4b9  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
ad1e073351a96b4162b4126db826f2c28f638e26d36632161b178bca4fb2cf6c  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
d1ab13b4d17f0b0b4c24fabfe0ac0fecc3ed9f7882c83eade541c3d17bb89e7c  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
779210b2e0c25583516600dd3955d94dc991b78dd2c5385ee76ae675101bcc6e  02_representative_structure/representative_native_GLYCAM.pdb
82ff512c61c7f4a8900dff6d643fef7990ee2244df4d2e6b20a7b785fc82775b  02_representative_structure/topol.top
c77158c9edab0117f527fb9e958e60593ca65767f538b0973e362a47881e380d  03_exact_restart_after_30ns/prod_006.tpr
a4dadb76e356532f53cb1cd9dbf33dd015e8e2f2a53e072b940ddb70253bf93d  03_exact_restart_after_30ns/prod_30ns.gro
82ff512c61c7f4a8900dff6d643fef7990ee2244df4d2e6b20a7b785fc82775b  03_exact_restart_after_30ns/topol.top
b109fb6d36b32b023c754979bd8f94a3acc06dc456077f054ec26b17e735db03  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
3d4a33dde1a2066a381409a20e9195f0cacb4b2704d6a94dfe0a1ec86e9637f2  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
0de15cfd26e13ebc3a68d1f80c8a48b2c9ef8470fb8c04255dc5fd67e73cca9e  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
779210b2e0c25583516600dd3955d94dc991b78dd2c5385ee76ae675101bcc6e  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
dd216dbd0b16231ac21f87d5b2fda67851ba79d9efdc3775b6940fa40b0c5a89  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
b04f87a2553772c75a4144943ea2002ed1ba095d092a76621e6a6c7c83ce983c  05_metadata/cluster_summary.json
3ac89e1c78db14b122b6b5920b80cc749640b5dcbaad06a533add4f57e7d9b33  05_metadata/cutoff_scan.tsv
8042aaf74d23d7909ef6a23744aca292bdd850a87c3f9a096718929f2c0b84df  05_metadata/residue_mapping.tsv
1a4650aab3d0a9bc356a1e23de65ea9a75fe77571e534a94d2d3166471c4c155  05_metadata/workflow_config.json
c77158c9edab0117f527fb9e958e60593ca65767f538b0973e362a47881e380d  06_forcefield/prod_006.tpr
82ff512c61c7f4a8900dff6d643fef7990ee2244df4d2e6b20a7b785fc82775b  06_forcefield/topol.top
1c23da46277cc52a9ec1273c0c0742c509b59a75f1b61d4058f0b65d34257683  PACKAGE_STATUS.json
08db046f0a2959fb294c4c586e2a7e1aa9fd88453883449c2b7a051269586705  README_FIRST.txt
