Asymmetric bilayers with DPPC, DAPC and Chol

A series of asymmetric all-atom bilayer simulations with 100 DPPC (1,2-dipalmitoyl-sn-glycero-3-phosphocholine) lipids in the top leaflet, varying number (between 50 and 110) of DAPC (1,2-diarachidonoyl-sn-glycero-3-phosphocholine) lipids in the bottom leaflet and cholesterol (Chol) at 30 mol% of all lipids. The simulations were constructed with CHARMM-GUI Membrane Builder and simulated with NAMD at fixed temperature of 40 C and pressure of 1 atm.

The uploaded files include: a table with the lipid compositions and nomenclature for the bilayers, the structure (.psf) and trajectory (.dcd) files for each system and a sample file with the NAMD input parameters used for the simulation. The uploaded trajectory is the one used for analysis. It has been centered so that the average z position of all terminal methyls is at z=0 and the frames are output every 40 ps.