Skip to content

Latest commit

 

History

History
10 lines (7 loc) · 1.15 KB

README.md

File metadata and controls

10 lines (7 loc) · 1.15 KB

MARTINI-CG-TUTORIALS

Repository of tutorials on Coarse-Grained Molecular Dynamics (CG-MD) using the Martini 3 force field, designed for running on Google Colab.

Tutorials for learning how to perform Molecular Dynamics (MD) simulations with Coarse-Grained (CG) resolution using the Martini Force Field (more info at https://cgmartini.nl/). The tutorials are run using GROMACS as the calculation engine. No additional software or libraries need to be installed, as they can be executed on Google Colab. However, you can download the material and try it on your own equipment if you prefer.

These tutorials were designed and created at the Multiscale Modeling Lab (https://www.itqb.unl.pt/labs/multiscale-modeling, ITQB NOVA, Lisbon) by Dr. Manuel N. Melo and Dr. Martin Calvelo. For any questions or suggestions, please contact us at martin.calvelo@gmail.com.

List of tutorials

  1. Ceramide – VDAC1 binding in a membrane
  2. Lipidomics study with Magainin II