VerletIntegrator

class OpenMM::VerletIntegrator

This is an Integrator which simulates a System using the leap-frog Verlet algorithm.

Methods

VerletIntegrator	Create a VerletIntegrator.
step	Advance a simulation through time by taking a series of time steps.

VerletIntegrator(double stepSize)

Create a VerletIntegrator().

Parameters:

• stepSize – the step size with which to integrate the system (in picoseconds)

void step(int steps)

Advance a simulation through time by taking a series of time steps.

Parameters:

• steps – the number of time steps to take