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Updated in [September 05th, 2023]

Skills and Knowledge Acquisition:
1. Molecular Dynamics Basics: Gain a fundamental understanding of molecular dynamics, including its principles and applications.
2. Force Fields: Explore the concept of force fields and their significance in molecular dynamics simulations.
3. Molecular Dynamics Software: Learn how to install and work with molecular dynamics software on Ubuntu and Windows.
4. GROMACS Installation: Understand the installation process of GROMACS, a popular molecular dynamics simulation software.
5. GROMACS File Formats: Familiarize yourself with GROMACS file formats for input and output data.
6. Molecule Preparation: Acquire skills in preparing molecules for molecular dynamics simulations.
7. Energy Minimization: Explore techniques for energy minimization, a crucial step in molecular dynamics.
8. System Equilibration: Learn about system equilibration and its role in achieving stable simulations.
9. Molecular Dynamics Trajectory Analysis: Gain proficiency in analyzing molecular dynamics trajectories to extract meaningful insights.

Contribution to Professional Growth:
- Enhance your knowledge and expertise in molecular dynamics, a valuable skillset in various scientific and research domains, including chemistry, biochemistry, and materials science.
- Develop practical skills in setting up and running molecular dynamics simulations, which are essential for research, drug discovery, and material characterization.
- Boost your credibility and career prospects by adding molecular dynamics expertise to your professional toolkit.
- Open doors to job opportunities in research institutions, pharmaceutical companies, biotechnology firms, and academia.
- Cultivate problem-solving abilities and analytical thinking crucial for tackling real-world challenges in molecular dynamics research and applications.

Suitability for Preparing Further Education:
- Ideal for individuals aspiring to pursue advanced studies or research in fields related to molecular dynamics, computational chemistry, or biophysics.
- Provides a strong foundation for pursuing academic coursework at the undergraduate or graduate level, particularly in chemistry, physics, or related disciplines.
- Offers practical insights and skills that are transferable to more advanced courses, research projects, or laboratory work involving molecular dynamics.
- Equips learners with the knowledge and competence required to excel in advanced molecular dynamics simulations and research endeavors.

Course Syllabus

Introduction to the course

Introduction to Molecular Dynamics

Force Field

Molecular Dynamics Software

Ubuntu Installation in Windows

GROMACS Installation

GROMACS files format

Molecule Preparation

Energy Minimization

System Equilibration

Molecular Dynamics

Trajectory Analysis

Additional Information