print(md.correlation.msd(trajectory[0], trajectory[-1])) result_msd = md.correlation.shifted_correlation( md.correlation.msd, oxygen_water, segments=10, skip=0.1, average=True ) result_msd_nojump = md.correlation.shifted_correlation( md.correlation.msd, oxygen_water.nojump, segments=10, skip=0.1, average=True ) plt.figure() plt.plot(result_msd[0], result_msd[1], ".", label="pbc") plt.plot(result_msd_nojump[0], result_msd_nojump[1], "-", label="nojump") plt.legend() plt.xscale("log") plt.yscale("log") plt.xlabel(r"$t$ in ps", fontsize=16) plt.ylabel(r"$\langle r^2\rangle(t)$ in nm$^2$", fontsize=16) plt.show() plt.close()