Molecular Dynamic Simulation
Running a Simple Molecular Dynamic Simulation using VMD and NAMD
Project Description
In this project, I embarked on a fascinating journey to explore the intricacies of molecular dynamics simulation using two powerful tools: NAMD and VMD.My main objective was to gain a comprehensive understanding of the process involved in creating and executing such simulations.
To accomplish this, I conducted a simple yet insightful simulation of a water box. By leveraging the capabilities of NAMD and VMD, I successfully validated the behavior and characteristics of water molecules within the simulation environment. The results obtained shed light on the dynamic nature of water molecules and provided valuable insights into their interactions.
To delve deeper into the details of this captivating simulation, I invite you to read my dedicated blog post titled MD Simulation. It provides a comprehensive overview of the methodology employed, the key findings, and the significance of the study.
For a more hands-on experience, you can explore the code and related resources on my GitHub repository water-box. Feel free to delve into the implementation details, replicate the simulation, or use it as a foundation for your own explorations.
This project has been an enlightening journey that has deepened my understanding of molecular dynamics simulation. I invite you to join me in unraveling the mysteries of the microscopic world through this project and its associated resources.