changes.mady.by.user Jeffrey Wagner
Saved on Mar 10, 2024
Saved on Mar 11, 2024
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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