Erik Lindahl
Erik Lindahl
Erik Lindahl
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Bilayer structures<br />
• Find pre-equilibrated conformations<br />
• Ask authors of published papers<br />
(works great for Gromacs topologies too)<br />
• Use genbox & genconf to change system size<br />
• Repeat single lipid conformation on grid,<br />
equilibrate for a long time in vacuo<br />
• Repeat single lipid(s), add random rotation<br />
and tilts, shorter equilibration<br />
• Simulate bilayer formation ‘the natural way’
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