Jupyter Notebook Protein MD Setup tutorial
Protein MD Setup tutorial using BioExcel Building Blocks (biobb)
Based on the official GROMACS tutorial.
This tutorial aims to illustrate the process of setting up a simulation system containing a protein, step by step, using the BioExcel Building Blocks library (biobb). The particular example used is the Lysozyme protein (PDB code 1AKI).
Copyright & Licensing
Licensed under the Apache License 2.0, see the file LICENSE for details.
Created: 7th May 2021 at 14:51
Last updated: 17th Mar 2022 at 09:01