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README.md

Molecular Dynamics Simulations using VMD

This repository contains a collection of VMD (Visual Molecular Dynamics) simulation files, analysis scripts, and visualization setups.
The goal is to provide a reference for studying and visualizing molecular systems from simple molecules to complex biomolecular assemblies using VMD.


about VMD

VMD (Visual Molecular Dynamics) is a molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3D graphics and built-in scripting.

It is widely used for:

  • Visualizing trajectories from molecular dynamics simulations.
  • Analyzing structural properties (RMSD, hydrogen bonds, secondary structures, etc.).
  • Preparing publication-quality molecular graphics and animations.

Official Website:
Download it here

After Installing to start up open your console and type "vmd" it will launch the VMD GUI.

There are also many protein structures that already can be loaded into the GUI.