Klauda Lab Simulation Wiki

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

1. Surface Area of Lipid (overall)
2. Equilb Test and Area Compressibility
3. Comp-SA (surface area of each lipid component)
4. SCD (chain order parameters)
5. EDP (electron density profiles)
6. Tilt Angle (sterol)
7. 2D RDFs
8. Hydrogen Bonds for Single-Component Bilayers
9. Hydrogen Bonds for Multi-Component Bilayers (lipids and sterol)
10. Lipid Wobble (cross-chain)
11. Lipid Clustering
12. Pairwise 2D-RDF and Clustering
13. Packing Defects
14. Chain Interdigitation
15. Dipole Potential and ESP
16. Drug or Peptide distance to bilayer
17. 1D (Z) NAMD Potential of Mean Force