Special Stability Advantages of Position Verlet Over
Velocity Verlet in Multiple-Timestep integration
We present an analysis that compares the use of Position Verlet versus
Velocity Verlet for multiple-timestep integration. The numerical
stability analysis presented for the impulse-Verlet splitting for a
simple two-component
harmonic oscillator shows that Position Verlet has enhanced
stability with respect to
the largest allowable timestep for cases where an ample
separation of timescales
exists. Numerical investigations confirm
the advantages of the Position Verlet scheme when used for the
fastest timescales of the system. Applications to a biomolecule,
a solvated protein, for both Newtonian and Langevin dynamics
echo these trends over large
outer-timestep regimes.
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