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Aneet's blog

Molecular Dynamics - Whats going wrong?

Submitted by Aneet on

I have been writing a MATLAB code to reproduce the results of Verlets paper - Computer "experiments" on classical fluids, 1967.

Here is how I go about it:

 

- I initialize all the velocities (uniform distribution about [-1, 1])

- Initialize all positions  (NOT random allocations).

- I use Verlet's algorithm to update the positions.