Molecular Dynamics simulation for beginners | Gromacs installation in windows 10/11 using WSL2

This tutorial presents a comprehensive guide to installing GROMACS on a Windows system through virtualization using the Windows Subsystem for Linux (WSL) and Ubuntu. Although GROMACS may be compiled directly for Windows, it performs significantly better in a Linux environment. In this tutorial, we demonstrate how to achieve a robust Linux environment within Windows, thereby optimizing your molecular dynamics simulations. Overview: GROMACS is renowned for its efficiency in molecular dynamics simulations, particularly when run on Linux. For users reluctant to switch entirely to Linux, virtualization offers a practical alternative. By employing WSL—a native Windows feature available since Windows 10—you can install a fully functional Linux distribution, such as Ubuntu, on your Windows machine. The tutorial covers the complete process from enabling the Windows Subsystem for Linux to installing GROMACS on Ubuntu. Commands for Installing GROMACS on Ubuntu: Open the Ubuntu terminal. Update the package index by running: sudo apt update Install GROMACS with the following command: sudo apt install gromacs If you want to Enable Virtualization on Windows: https://support.microsoft.com/en-us/w... Benefits of This Approach: Optimized Performance: Running GROMACS on Linux via WSL leverages the superior performance and reliability of a native Linux environment. Seamless Integration: WSL’s integration with Windows offers a straightforward setup without the overhead of third-party virtualization software. Efficiency in Simulation: This setup allows users to execute computationally intensive molecular dynamics simulations efficiently while maintaining the use of a Windows operating system. For users interested in maximizing the capabilities of GROMACS on a Windows system while retaining a familiar operating environment, this tutorial provides an ideal solution. Follow the detailed instructions in the video to optimize your simulation workflow. #GROMACS #moleculardynamics #windows11