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We have recently analyzed Verlet-I/r-RESPA and discovered that there
is a nonlinear resonance [47,60] which in practice means
that the time step possible for the method is more restricted than the
linear analysis suggests. The method becomes unstable at roughly a third of
the fastest period, rather than half as the linear analysis
suggests. For the same case of flexible water that means there is
instability at around 3fs. This is not much better than leapfrog.
Jesus Izaguirre
2001-07-27