abf8a593f4373db79f44a4d434aa7c5669f0b8b684969e7fdccbd2d959680dc4  01_display/CMBG_8404_GROMACS_RCSB_CCD_SNFG.pdb
04af81137739d3c8300ab7d84090d20f0e9681ba505a9f7a2c920fc9641d593a  01_display/CMBG_8404_GROMACS_RCSB_CCD_all_atoms.mol2
0482f0fe212cc23c69357994f2964386b4bceab867e865a6b4f875aef0af088d  01_display/CMBG_8404_GROMACS_RCSB_CCD_all_atoms.pdb
31f3ddad98240de4f712ed9226a62cdeccf21873f92771b563850a0817a66fa2  01_display/CMBG_8404_GROMACS_RCSB_CCD_all_atoms.sdf
668b48eda40064ececc3570ea462aaabce382337bda969f377020b1d8360b9bc  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
0710891cec6296ecbe86d1b9e9943e437485a3953512a181606146d2881ad250  02_representative_structure/prod_006.tpr
abf8a593f4373db79f44a4d434aa7c5669f0b8b684969e7fdccbd2d959680dc4  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
04af81137739d3c8300ab7d84090d20f0e9681ba505a9f7a2c920fc9641d593a  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
0482f0fe212cc23c69357994f2964386b4bceab867e865a6b4f875aef0af088d  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
31f3ddad98240de4f712ed9226a62cdeccf21873f92771b563850a0817a66fa2  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
ab185b395c8e8851688d2ef23bf503fcabec7d3196eaf60cec48dca9596b1a1d  02_representative_structure/representative_native_GLYCAM.pdb
8aff9837f0186ca5586d33ed26f4c4d66acc466627d21c6a29d98a3bdb928fbc  02_representative_structure/topol.top
0710891cec6296ecbe86d1b9e9943e437485a3953512a181606146d2881ad250  03_exact_restart_after_30ns/prod_006.tpr
65d8b7fcb474441cfdf1235edd43fe3c143f7736049653834b5cfa9649134c07  03_exact_restart_after_30ns/prod_30ns.gro
9ef7d805c43de9e0b0ccea3e26f5282591c36b04fe57e595f2c1e22e7b57ba1b  03_exact_restart_after_30ns/state.cpt
8aff9837f0186ca5586d33ed26f4c4d66acc466627d21c6a29d98a3bdb928fbc  03_exact_restart_after_30ns/topol.top
887d8e312ebfdecfc32330e6ceacc49ca95d6adf63a51829be16695cf3f6fdd5  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
ea30357a6e843aba0adccfd270dd0afe69883c956c8a770f4c261bd1901bcf63  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
f698a9541d91e5a07c39f43f9089e4d3bb255866dfec474449c57b10e78a00a0  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
ab185b395c8e8851688d2ef23bf503fcabec7d3196eaf60cec48dca9596b1a1d  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
1e74e457cbf2ae1bbdea7b4cc09c95701c552fa938603a1b07fdbea361e00b9d  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
ca994be95f0116129b1f54210fbc4956e5e30abdd6f61b29e8eee68ea2f99628  05_metadata/cluster_summary.json
e6bcce23e8fbdd3aa28fe5cccb08e01afc665845417ef8d4d8b441b2093d1fb4  05_metadata/cutoff_scan.tsv
12f59008cf29a7d41bad883b32649ec541db0af647bb5b525c912c0c91a342fe  05_metadata/residue_mapping.tsv
3fe0138bf615c2482adbc2b60037c948ce466415498e380a81e9cd4f1c52edde  05_metadata/workflow_config.json
0710891cec6296ecbe86d1b9e9943e437485a3953512a181606146d2881ad250  06_forcefield/prod_006.tpr
8aff9837f0186ca5586d33ed26f4c4d66acc466627d21c6a29d98a3bdb928fbc  06_forcefield/topol.top
e742e07ef04ee8853b3633099728afe9e98fed752e3307c328a38d9e3c163b30  PACKAGE_STATUS.json
945588289e7f12206e91318b918ef9213c778918de14802affdfba28ebba37ea  README_FIRST.txt
