Simulation systems of: "Free energies of membrane stalk formation from a lipidomics perspective"

<p><strong>Simulation systems of: </strong></p> <p>Free energies of membrane stalk formation from a lipidomics perspective</p> <p>Chetan S.&nbsp;Poojari,&nbsp;Katharina C.&nbsp;Scherer,&nbsp;Jochen S.&nbsp;Hub</p> <p>Nature Communications, 12,&nbsp;&nbsp;6594&nbsp;(2021),&nbsp;<a href="https://doi.org/10.1038/s41467-021-26924-2">https://doi.org/10.1038/s41467-021-26924-2</a></p> <p>&nbsp;</p> <p><strong>First published as &nbsp;a preprint manuscript&nbsp;in BioRxiv as:</strong></p> <p>Free energies of stalk formation in the lipidomics era</p> <p>Chetan S.&nbsp;Poojari,&nbsp;Katharina C.&nbsp;Scherer,&nbsp;Jochen S.&nbsp;Hub,</p> <p>BioRxiv,&nbsp;https://www.biorxiv.org/content/10.1101/2021.06.02.446700v1, 2021</p> <p>The archive contains</p> <ul> <li>starting conformations of double-membrane systems</li> <li>topologies</li> <li>MD parameter files</li> </ul> <p>Running the simulations requires a modified version of GROMACS, which implements the chain coordinate available at GitLab:</p> <p><a href="https://gitlab.com/cbjh/gromacs-chain-coordinate">https://gitlab.com/cbjh/gromacs-chain-coordinate</a></p>