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Notes

  • PDB to simulation

    • JM – Could make this even shorter

  • Vsites

    • Monovalent geometries look funny, JM will report to MT

    • For final visualizations, just do one mol that exhibits multiple vsite types

  • Micelle

    • Pre-charge lipid and distribute as SDF

  • General

    • Do OMP_NUM_THREADS in terminal instead of notebooks

    • Colab won’t let you do multiple notebook files with one env - Will need to have them concatenated


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