/All_Atom-Artificial-Lipid_Membrane

This tutorial will guide you through the process of setting up a simulation system containing a multi-component lipid bilayer membrane with artificial lipid topology in a box of water

Primary LanguageJupyter Notebook

MEMBRANE BIOPHYSICS TUTORIAL

AA-Artificial-Lipid-Bilayer-Tutorial

This tutorial will guide a new user through the process of setting up a simulation system containing a symmetric multi-component lipid bilayer membrane in a box of water. This workflow has been employed in Enthalpic and Entropic Contributions to Interleaflet Coupling Drive Domain Registration and Anti-registration in Biological Membrane

This tutorial assumes you are using a GROMACS version in the 2018.x series.

Citations

@article{sharma2021enthalpic,
  title={Enthalpic and Entropic Contributions to Interleaflet Coupling Drive Domain Registration and Anti-registration in Biological Membrane},
  author={Sharma, Akshara and Seal, Aniruddha and Iyer, Sahithya S and Srivastava, Anand},
  journal={bioRxiv},
  year={2021},
  publisher={Cold Spring Harbor Laboratory}
}

Please note that the purpose of this tutorial is instructional and is not an endorsement or suggestion that you use these specific parameters/procedure for your simulation.

If you have suggestions for improving this tutorial, if you notice a mistake, or if anything is otherwise unclear, please feel free to email me. Please note: this is not an invitation to email me for CHARMM-GUI, GROMACS or Membrane Biophysics problems. I do not advertise myself as a private tutor or personal help service.