e3a28b39520c3dcdc867fea2086977bd3210cd6128b0aff89c57bb0a697b04e4  01_display/CMBG_2629_GROMACS_RCSB_CCD_SNFG.pdb
fa2b5a683896110577c7ed931518a5e8dd3b4446964b68b7ef03e8f3370f15dc  01_display/CMBG_2629_GROMACS_RCSB_CCD_all_atoms.mol2
57a2c4510a28b43a2daf83ea3acc146a4cd9606e4b1839fef052ffb62da863cd  01_display/CMBG_2629_GROMACS_RCSB_CCD_all_atoms.pdb
9060dfa4bd620584a646fb053b723e2e5dbb9d6b4627ea73eaff580242d7a57f  01_display/CMBG_2629_GROMACS_RCSB_CCD_all_atoms.sdf
7be6bf0f0018e7d13f9e830d0334a5820cc21ea5a95d2bfcdc2c50757121e820  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
2689e91269884656f23208d410e9cc86d6fab3832b7b8a62dae64fd0d6b98e76  02_representative_structure/prod_006.tpr
e3a28b39520c3dcdc867fea2086977bd3210cd6128b0aff89c57bb0a697b04e4  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
fa2b5a683896110577c7ed931518a5e8dd3b4446964b68b7ef03e8f3370f15dc  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
57a2c4510a28b43a2daf83ea3acc146a4cd9606e4b1839fef052ffb62da863cd  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
9060dfa4bd620584a646fb053b723e2e5dbb9d6b4627ea73eaff580242d7a57f  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
1d2c4ed8d0d68d8178c13323b6b01f763fc7b54d33dcbfcce3d8a1b1a3358a66  02_representative_structure/representative_native_GLYCAM.pdb
97466bd962aedd6c69d4dadc68c54be2da87bdb2deee2af29cd7ec2150674cf9  02_representative_structure/topol.top
2689e91269884656f23208d410e9cc86d6fab3832b7b8a62dae64fd0d6b98e76  03_exact_restart_after_30ns/prod_006.tpr
2552cb5805190797ee1f1ed71b48e8c450710654487d5c7f3d1f2893bbacf38b  03_exact_restart_after_30ns/prod_30ns.gro
97466bd962aedd6c69d4dadc68c54be2da87bdb2deee2af29cd7ec2150674cf9  03_exact_restart_after_30ns/topol.top
38e1ba6cffbc4aa3b92d2a1c6ee6beb7de9a96efc07d44ca2f9b94e5bdd19b90  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
a74644bcc9a12c7dc645e68611ea6f8d022d7afba794cdb78213cf1738f41164  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
e4cd71ab94da10d1b508c2c36600436dc487480aa6d29100716ab9a4e730322f  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
1d2c4ed8d0d68d8178c13323b6b01f763fc7b54d33dcbfcce3d8a1b1a3358a66  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
6c7b8e3b0849f49fbf6f1dbcfbbd1ad1e3ad5343160f43fa42cbbe5057f7f992  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
442e796388a9005f7c6dfe955151b57522eb19fbd48ee89c3c82bb273640cf60  05_metadata/cluster_summary.json
006774154303a7492c0af34ce54444a3eea1455dccb6de0ff14c779d5fcf9c43  05_metadata/cutoff_scan.tsv
8042aaf74d23d7909ef6a23744aca292bdd850a87c3f9a096718929f2c0b84df  05_metadata/residue_mapping.tsv
8d3d3b92a1ba7b0e1128e2fe96966f82635d66a6a67d68ff4792795c74e0ad1c  05_metadata/workflow_config.json
2689e91269884656f23208d410e9cc86d6fab3832b7b8a62dae64fd0d6b98e76  06_forcefield/prod_006.tpr
97466bd962aedd6c69d4dadc68c54be2da87bdb2deee2af29cd7ec2150674cf9  06_forcefield/topol.top
1d2048c39a3f53fcb7d9acdd77c98adc825fb8008b7bd5f24c59f014ef2c279f  PACKAGE_STATUS.json
ff4b5125d26894ac986a1b4f0c1bf00503adf4e7d8b27ca7db5162e19bfb71ea  README_FIRST.txt
