[[bilayer_simulations]] ==== Bilayer Analysis Instructions ==== Here are a list of instructions for properties you may want to compute: - [[Surface Area of Lipid]] (overall) - [[Equilb Test]] and Area Compressibility - [[Comp-SA]] (surface area of each lipid component) - [[SCD]] (chain order parameters) - [[EDP]] (electron density profiles) - [[Tilt Angle]] (sterol) - [[2D RDFs]] - [[Hydrogen Bonds for Single-Component Bilayers]] - [[Hydrogen Bonds for Multi-Component Bilayers]] (lipids and sterol) - [[Lipid Wobble]] (cross-chain) - [[Lipid Clustering]] - [[Pairwise 2D-RDF and Clustering]] - [[Packing Defects]] - [[Chain Interdigitation]] - [[Dipole Potential and ESP]] - [[Drug or Peptide distance to bilayer ]] - [[1D (Z) NAMD Potential of Mean Force]] - [[Psi/Phi Mapping and Alpha Beta Helix]] - [[Interaction Energy of Ligand in Charmm]] - [[RMSD]] - [[Adjusting Water Level and Mutating Residues of Existing Simulations]]