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[PelochoV]

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• Paper
• Entry example: A01WL, from here.
• All the projects are under the ThermoPCD collection.

Problems:

• CD27_2 replica 1 corrupted? gmx check -f replica_1/md_0_10.xtc
• no xtc:
  • CD28
  • PD-1_2: seed 2 y 3
  • PD-1_6: seed 1, replicas 2-4
  • durvalumab: seed 1 replica 2
  • IL-1β
  • IL-16: seed 5 replica 2 shorter
• PD-1_3: 3ª MD xtc only 7.5 MB
• PD-1_6: pdb and xtc atom count mismatch
• CD137 xtc solo 140mb
• COMP-epitope_P6 replicas 9-12. Wrong topology. H with 3 bonds
• TNF-α_2: 7-9: topology problem
• 
• TNF-α: seed 2 replica 4, error DOI link
• GM-CSF_2: RMSD jumps in 5,8,11.

TO-DO

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• Publish
• Storage at data/mmb?