b172eef53921020f4f770a7cfff44c5b025a99dc965d64319d8f8b2e6d3d0949  01_display/CMBG_2153_GROMACS_RCSB_CCD_SNFG.pdb
d64c9c17e724a75fbb6da4e811454be6738b1177d84eb51642bb8b32b50da80c  01_display/CMBG_2153_GROMACS_RCSB_CCD_all_atoms.mol2
3dcf5c4c5cc7be261d2f5d876fe12b3e4def52108479a59c6868a738e12fcd60  01_display/CMBG_2153_GROMACS_RCSB_CCD_all_atoms.pdb
18d75d4e7c08d9f6d7a60fd570044e9a08f2ad8104365919787d0edb4c195409  01_display/CMBG_2153_GROMACS_RCSB_CCD_all_atoms.sdf
9cafad50ebe718870b45d89b3ded82edd982abb1ab25f26b19956ab2ffac5dde  02_representative_structure/GLYCAM_TO_RCSB_CCD_MAPPING.tsv
60947e3af5275c5838d3726e136edde8f88d78b0e1d00da7b829a7d38673420a  02_representative_structure/prod_006.tpr
b172eef53921020f4f770a7cfff44c5b025a99dc965d64319d8f8b2e6d3d0949  02_representative_structure/representative_RCSB_CCD_SNFG.pdb
d64c9c17e724a75fbb6da4e811454be6738b1177d84eb51642bb8b32b50da80c  02_representative_structure/representative_RCSB_CCD_all_atoms.mol2
3dcf5c4c5cc7be261d2f5d876fe12b3e4def52108479a59c6868a738e12fcd60  02_representative_structure/representative_RCSB_CCD_all_atoms.pdb
18d75d4e7c08d9f6d7a60fd570044e9a08f2ad8104365919787d0edb4c195409  02_representative_structure/representative_RCSB_CCD_all_atoms.sdf
7c0114f1c86cff1ed2d7da27149885d775b25526317543435099595120f0866d  02_representative_structure/representative_native_GLYCAM.pdb
fc9d79dd59a76d7afd8e115d126b183f063229c831850e5e3591a302f52aedcb  02_representative_structure/topol.top
60947e3af5275c5838d3726e136edde8f88d78b0e1d00da7b829a7d38673420a  03_exact_restart_after_30ns/prod_006.tpr
1b1b48ffc5672e844ae1e855c589f466860ea0a6623da115e0eb0099c2fafe4e  03_exact_restart_after_30ns/prod_30ns.gro
2b862714459fcb1d701a18ee96811a4557d1187b97a6079b7acbd09786fb3bbd  03_exact_restart_after_30ns/state.cpt
fc9d79dd59a76d7afd8e115d126b183f063229c831850e5e3591a302f52aedcb  03_exact_restart_after_30ns/topol.top
bbc528aef383e863f14c13771fb93e8b54f5f1864ae03d3efcb126a10ee0579c  04_conformers/alternate_medoids/cluster_02_medoid_native_GLYCAM.pdb
1de6db191473f7d61e767c4e3da2e66591ca834ade77fbf8addd4fc8661225bd  04_conformers/alternate_medoids/cluster_03_medoid_native_GLYCAM.pdb
973a54c3ba545dc6177b10e737e282bc603010ddf8ca8fa8c3b0ba8fbc41690a  04_conformers/alternate_medoids/cluster_04_medoid_native_GLYCAM.pdb
7c0114f1c86cff1ed2d7da27149885d775b25526317543435099595120f0866d  04_conformers/dominant_cluster_medoid_native_GLYCAM.pdb
ac9ea2953fda0665ce7c20ffed2940f85a8d95a961f667551ae6867b0b86c3c2  05_metadata/RCSB_CCD_DISPLAY_AUDIT.json
b0268d49d7ffdc510fad2a6055292c6a10e54bc6aa55a0307ce66d39eb40cc30  05_metadata/cluster_summary.json
c548b1f0981635e37774d73cc4a9429bdfa9870dceaffb854811ddc4854d035d  05_metadata/cutoff_scan.tsv
7a4142fe1ffa3414ad337efc2ea1a61459a94d47f521c4a924be0373b5e7eaf7  05_metadata/residue_mapping.tsv
2af67b2fb4b30f6f49b98c6c68a8ef6c8be5391a4f95b81d878cbd8c837b57d3  05_metadata/workflow_config.json
60947e3af5275c5838d3726e136edde8f88d78b0e1d00da7b829a7d38673420a  06_forcefield/prod_006.tpr
fc9d79dd59a76d7afd8e115d126b183f063229c831850e5e3591a302f52aedcb  06_forcefield/topol.top
64c2f5f25cb162ae032edef9415ac41408afbedc264e01613df886096394ab13  PACKAGE_STATUS.json
0a7ea2c8c8f929c1df9af5f614daf145a698bad195db908c400464f37981c620  README_FIRST.txt
