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Molecular Dynamics - Whats going wrong?
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.
However, in the very second iteration (with a non-dimensional time step of 0.032 as suggested by the paper), My force goes to the order of 10^41! This has been eating me alive for the last 4 weeks!
Any ideas?
Aneet
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Molecular Dynamics - whats going wrong?
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Dear Aneet.
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