6639c3a74cf838a12c54b290ed457620c6666f49c45e459b94abf803502a7d05  01_display/CMBG_25710_GROMACS_RCSB_CCD_SNFG.pdb
e1f5b68947ede38277e7e1e3edc57367d7548be967f427e9dd425a3aa21c6cf9  01_display/CMBG_25710_GROMACS_RCSB_CCD_all_atoms.mol2
709e8de91e7ced8d85ebbc7a1e1b9faf51dca72e1d5009a0d3066242df3e4621  01_display/CMBG_25710_GROMACS_RCSB_CCD_all_atoms.pdb
07b23b41fd619d292a145225b121147848a154017f2fe9a75ca986ea861af050  01_display/CMBG_25710_GROMACS_RCSB_CCD_all_atoms.sdf
649535e0e1c5b32472fbba1e28bd9ea1cde35d779f2bb37b9988b08234a721ea  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
d1ea8a4ba174fa6c2dee5ee3e9d6134946cab417099f43bde6550163718df5ca  02_representative_structure/prod_006.tpr
6639c3a74cf838a12c54b290ed457620c6666f49c45e459b94abf803502a7d05  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
e1f5b68947ede38277e7e1e3edc57367d7548be967f427e9dd425a3aa21c6cf9  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
709e8de91e7ced8d85ebbc7a1e1b9faf51dca72e1d5009a0d3066242df3e4621  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
07b23b41fd619d292a145225b121147848a154017f2fe9a75ca986ea861af050  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
9829ff723283adb5e02791b52f948b5a3e88feaa8d846c1bf5d7434050b44f28  02_representative_structure/representative_native_GLYCAM.pdb
a309d03afd6b215a2f1fdba6a9d248a11c0bc15b8a2ca6b0406f450c9e207439  02_representative_structure/topol.top
d1ea8a4ba174fa6c2dee5ee3e9d6134946cab417099f43bde6550163718df5ca  03_exact_restart_after_30ns/prod_006.tpr
10fbc99ac65c046f481437a1adef9cf203ec1e57e7eb6cd76e6c465a4d164957  03_exact_restart_after_30ns/prod_30ns.gro
a309d03afd6b215a2f1fdba6a9d248a11c0bc15b8a2ca6b0406f450c9e207439  03_exact_restart_after_30ns/topol.top
39432ee82aec20ea9e1220c7bd0b65416ea4aa6d4dd00d818765243c60aa9086  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
211a1b3fe6d65642fc4871dc8fbc97fd6149bac4f06afa36d29f0143883071a0  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
f81569bfdd16059cb6d3e1277e6a162c3708664fe72d5446651fa8d545644992  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
9829ff723283adb5e02791b52f948b5a3e88feaa8d846c1bf5d7434050b44f28  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
c9233ff0f5ecd60db41c1f03d0c640c6dcd42209e02e2a62557a2a830b74a8d0  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
f12432b14eaf8c2d7d4726c515be6b35f4885d6d152a63ce43c0e5f42355fab5  05_metadata/cluster_summary.json
4d676e8e8e26f62aa8a66deed6992faed5843200f9f57cd6688aa47966ec1830  05_metadata/cutoff_scan.tsv
5829ef73f6e7f956b5be70ac6174cb17a04d17f48e32171dd4171714bcfb5dd3  05_metadata/residue_mapping.tsv
be5eda5a7f0dfa4389a47473d1b347157851b0e5322df8f5552f676edb325cd9  05_metadata/workflow_config.json
d1ea8a4ba174fa6c2dee5ee3e9d6134946cab417099f43bde6550163718df5ca  06_forcefield/prod_006.tpr
a309d03afd6b215a2f1fdba6a9d248a11c0bc15b8a2ca6b0406f450c9e207439  06_forcefield/topol.top
c45448d5a3caff78026b452bd3b2d8f6c8fcb6ed94020ca54f70e5e31597697d  PACKAGE_STATUS.json
fb907565fd733fd60c3d0e61749276586f05b530cb8b554c1087ca9d645c2f87  README_FIRST.txt
