Molecular Dynamics Simulation

January 10, 2023

To start your first Molecular Dynamics Simulation, you can start with a simulation of Protein (e.g. Lysozyme) using Gromacs.

Following are the materials that might be helpful.

1. The Basic Introduction to Molecular Dynamics Simulation:

The Basic of Molecular Dynamics Simulation from Syed Lokman

2. Prepation of files for Molecular Dynamics Simulation using Charmm-GUI

MD Preparation: Charmm-GUI from Syed Lokman

3. Performing Molecular Dynamics Simulation of a Protein using Gromacs:

Gromacs - Molecular Dynamics Simulation from Syed Lokman