This two-week online hands-on training on GROMACS is designed to provide participants with comprehensive knowledge and practical experience in molecular dynamics (MD) simulations. The workshop covers a wide range of topics—from fundamental concepts of MD and high-performance computing (HPC) to advanced simulations involving protein-ligand, membrane-protein, metal complexes, and nanomaterial interactions. Participants will gain hands-on experience using GROMACS tools, simulation setup, data analysis, and visualization techniques.

The program also introduces web-based resources like CHARMM-GUI and covers workflows for real-world biomolecular systems. This workshop is ideal for students, researchers, and professionals from chemistry, biology, physics, and computational sciences seeking to enhance their skills in molecular simulation.