Large Scale Biomolecular Dynamics Simulations - prace
Large Scale Biomolecular Dynamics Simulations - prace
Large Scale Biomolecular Dynamics Simulations - prace
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Molecular <strong>Dynamics</strong><br />
1. Start with a system of particles with given<br />
coordinates<br />
2. Compute forces on each particle due to a<br />
(classical) energy function<br />
3. Integrate the particle positions<br />
4. Save coordinates and energies etc.<br />
5. Go to 2.<br />
Particles != Atoms<br />
onsdag, 2009 maj 13
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