If I execute molecular simulation according following script. We describe the method as ‘we execute an dynamics simulation on the system at room temperature (T=300 K) with a time step of 1 fs.’ Is it reasonable for this statement? If it is not reasonable. How should I describe this method in right way.
initial_velocity = MaxwellBoltzmannDistribution(
temperature=300.0*Kelvin
)
method = VelocityVerlet(
time_step=1.0*femtoSecond,
initial_velocity=initial_velocity
)