Write a Gaussian MD program to simulate the following system:
3 particles without pairwise interaction are moving in a
one-dimensional harmonic potential. The sum of their kinetic energies
is kept constant. Draw the trajectory of the first
particle. Use Runge-Kutta.
Nosé-Hoover thermostat:
The equations of motion of the Nosé oscillator with
are
(7.23)
(7.24)
(7.25)
Integrate this set of equations, using Runge-Kutta, and draw
the trajectory.