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  1. This is a MD simulation of lipids that self-assemble. Initially, all lipids are randomly orientated, during the simulation they form a bilayer, such that the hydrophobic ends are sticking to the inside and the hydrophilic heads are facing outside. The ‘heads’ of the lipids are marked with that red sphere for better traceability. Below some simulation details, in case anybody is interested:

    * Coloring: Lipids: C silver, H white, O green, P red VDW-sphere, Water: not each atom shown, but just blue beads
    * Lipids: 72 POPC molecules
    * Programs: Simulation: Gromacs 5 and CHARMM force field, Visualization: VMD
    * further details: time step: 2fs, simulated time: 100ns (not entirely shown in the gif), total walltime: about 10 days on an Intel Xeon cluster, TIP3P water, periodic boundary conditions

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