GROMACS: Part 5

Protein-ligand simulations are essential for studying molecular interactions in drug discovery. In this tutorial, we demonstrate how to set up and run a protein-ligand simulation using CHARMM-GUI, a powerful web-based tool for molecular dynamics system preparation. You'll learn how to upload your protein-ligand complex, define force fields, and generate input files for simulations in GROMACS. Whether you're a beginner or an experienced researcher, this step-by-step guide will help streamline your workflow. 🔹 Topics Covered: ✅ Uploading and preparing protein-ligand structures ✅ Force field selection (CHARMM36) ✅ Generating topology and parameter files ✅ Running simulations in GROMACS Link for command line: https://drive.google.com/file/d/1hiTJ... Don't forget to like, share, and subscribe for more computational biology tutorials! #CHARMM-GUI #GROMACS simulation, #topology generation, #easy tutorial.