Module - 1

• Introduction to Molecular Dynamic Simulation
• Tools and Software's

Module - 2

• UNIX – basic commands
• Installation of GROMACS
• Introduction to GROMACS

Module - 3

• Lysozyme in Water
• MDS Protein-Ligand Complex
• Ligand Topology tools

Module - 4

• Lysozyme in Water
• Force Field
• Building Topology
• Solvation
• Adding Ions
• Energy Minimization
• Equilibration
• Production MD

Module - 5

• MDS Protein-Ligand Complex
• Ligand Topology tools
• Force Field
• Building Topology
• Building Complex
• Solvation
• Adding Ions
• Energy Minimization
• Equilibration
• Production MD

Module - 6

• MDS Analysis
• MDS Results Interpretation
• Visualization of Data