853f2a21cd4e5689da7f7af685279ca2d6bdd09bccc0221d57e95ad0c957609e  01_display/CMBG_6043_representative.mol2
630f252213242e8be66a52d4a2de2df536c9cdb5ebbeb065aa07aa3aff81fbae  01_display/CMBG_6043_representative.sdf
e687331aa3a35214484ae5bec289852dc938d3c98265d3b4a54106953f95b0d3  01_display/CMBG_6043_representative_visual.pdb
e21c45e9fb9864a459d41fc43dd9cbde9d3b59e06f7068aeba7712592b400ae2  02_representative_structure/CMBG_6043_representative_fullsystem.coor
ee4e55e9ec33c5854b39e224603845d04dc7a4ceb4f7b6de96de1a73c48af074  02_representative_structure/CMBG_6043_representative_fullsystem.psf
4bb4b7a5b429fae25fde6e2b8df1e078944c2874b13401e2f457dd02707b3aa0  02_representative_structure/CMBG_6043_representative_fullsystem_visual.pdb
6d312bee7496280587f6fc2344a23fdc9d2f6165027de18d06512d94ef005ac1  02_representative_structure/CMBG_6043_representative_glycan.coor
b36d399f3e382e6bfd23e834f66db8864ba23d579925647ad0b88b6776f94c75  02_representative_structure/CMBG_6043_representative_glycan.psf
e687331aa3a35214484ae5bec289852dc938d3c98265d3b4a54106953f95b0d3  02_representative_structure/CMBG_6043_representative_visual.pdb
ee4e55e9ec33c5854b39e224603845d04dc7a4ceb4f7b6de96de1a73c48af074  03_exact_restart_after_30ns/CMBG_6043_ionized.psf
d5001556122771bc95c631895c1c58a2042c22d2d5f04620e5785f2a9e566f11  03_exact_restart_after_30ns/CMBG_6043_prod_s03.restart.coor
e5784a699338f5e77b322eaaad5ef37ad035ddffb8a8da005514079992a89796  03_exact_restart_after_30ns/CMBG_6043_prod_s03.restart.vel
dd6cf4c6cb1bed6dbdda778feaab6e534c74c8b6861d771dd76de87e00997a3a  03_exact_restart_after_30ns/CMBG_6043_prod_s03.restart.xsc
e0dfebb139871eb0abd438298df222e75d4bc97c6b858a2eb5fa7bea4ea21843  04_conformers/CMBG_6043_cluster02_medoid_glycan.coor
1afca5ca976177150fcbad9d0447a6b086e89a9b6d0c07d61c7a30775095258d  04_conformers/CMBG_6043_cluster02_medoid_visual.pdb
8d46e8ff79412e3a30782542041936dc9b7ea7c6aca7920e04edfb63084228ab  05_metadata/README_REUSE.txt
8dd125a1a636b858141ebc7cc68101bf4c446758c670247e997745865f34ed27  05_metadata/alternate_medoids.tsv
29b69f903f6b69901b9895f6b903eb807d678fafc95fcab653d5f2072bb948d3  05_metadata/alternate_selection_status.tsv
460105e43f071007d94d35d1d4ae1311cb90d693442d1945299f339f47b48d10  05_metadata/alternate_validation_status.tsv
01f81025939e5016623260d57b5cf350244c9fe235c5d3bdd0ceee977f6c2c30  05_metadata/cluster_summary.tsv
d1237f53456e3af7f091c3f8e0728a5917c3b7633ab4409069f9c7eb5966e812  05_metadata/cutoff_scan.tsv
3e5a903929d74af418b8df1ef233c23f6a1f9e5e666cb1e75229e37caea145ff  05_metadata/package_provenance.json
53457b62b9d0568b0a10d0f8f1b58e046bf856a88897735ee924770cb2f32d6d  05_metadata/representative_metadata.json
9df902e5a566d3c514e376d228676f9c4b5b59d0ccf996b16c64a6d9ba0a4c52  05_metadata/representative_metadata.tsv
cad953d47fb25c4df8f130f22c98c6df1183391fa6e0b24fd0d765449fdb3ea1  05_metadata/representative_validation.txt
aeda1c3b87ee7dbbcff123e6a5f3a85e5682d3b61f5e2d9c42cfe01fab65b4a3  05_metadata/sampling_validation.txt
506ad6a873d59f22b394836431c94f13a26ddd1298a0a71106b2bc132c0cee33  05_metadata/selected_frame.txt
241fe6880fe4a4e9cd1b020ffd25e517c1b54b4729b31fc698c1ba4f6356d0d3  05_metadata/status.tsv
9acd5f1d887afaf5e2cdc0e420440ab912cc2b584f787120d6845dd077d58ee6  06_forcefield/par_all36_carb.prm
2fbf1da5665b24265c6fb749765cab9d82152e3588b4d971a2ab9adba12857ed  06_forcefield/toppar_water_ions_feb2026_namd.prm
cfe5d2239e102b58557520a96b2988e5f4332cfc948bb46334c3c334dbd51e69  FILE_MANIFEST.tsv
4a7ea140bb2f4bd880f67c53ccdc872ed4d4083d20e9aa6aeddbb0500ec0a8b6  PACKAGE_STATUS.json
fd382900ab63c5dcd0db54fd059027f52aaaaa891f8074e379b1970459b0e70a  README_FIRST.txt
