SYSTEM=CMBG_101194

FILES FOR VISUAL INSPECTION
- CMBG_101194_representative_visual.pdb
  Glycan-only medoid structure selected from the dominant production cluster.
  Use this PDB for viewing. Exact CHARMM residue names are preserved in PSF.

EXACT GLYCAN STARTING STRUCTURE
- CMBG_101194_representative_glycan.psf
- CMBG_101194_representative_glycan.coor
  Exact atom identity and coordinates for fresh solvation, minimization,
  equilibration, or a new MD workflow. Generate new velocities.

EXACT FULL-SYSTEM STARTING STRUCTURE
- CMBG_101194_representative_fullsystem.psf
- CMBG_101194_representative_fullsystem.coor
  Glycan, water, and ions at the representative production frame.
  Re-minimize/equilibrate and generate new velocities before new production.

TRACEABILITY
- representative_metadata.tsv
- cluster_summary.tsv
- cluster_assignments.tsv
- representative_validation.txt
- sampling_validation.txt
- CMBG_101194_original_raw_input.pdb

The visual PDB is not the topology authority. Use PSF+COOR for exact CHARMM
atom and residue identity.
