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The implementations of various methods for simulation of molecular motions.

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MolecularModel

Joanna Broniarek

The repository contains the implementation of various molecular dynamics methods for simulations of molecular motions.

Methods in the molecular dynamics:

  • Newton,
  • Verlet,
  • Velocity Verlet,
  • LeapFrog

The potential of a harmonic oscillator was used.

The simulation can be seen in the VDM program by loading the file with the XYZ extension.


The code was written entirely by me.

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The implementations of various methods for simulation of molecular motions.

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