Klauda Lab Simulation Wiki

Here are a list of instructions for properties you may want to compute:

1. Surface Area of Lipid (overall) and Area Compressibility
2. Comp-SA (surface area of each lipid component)
3. SCD (chain order parameters)
4. EDP (electron density profiles)
5. Tilt Angle (sterol)
6. 2D RDFs
7. Hydrogen Bonds for Single-Component Bilayers
8. Hydrogen Bonds for Multi-Component Bilayers (lipids and sterol)
9. Lipid Wobble (cross-chain)
10. Lipid Clustering
11. Packing Defects
12. Chain Interdigitation
13. Dipole Potential and ESP
14. Drug or Peptide distance to bilayer