# Define elements.
elements = [Oxygen, Hydrogen, Hydrogen]

# Define coordinates.
c0 = [[  0.00,   0.00,   0.12],
      [  0.00,   0.76,  -0.48],
      [  0.00,  -0.76,  -0.48]]*Angstrom

c1 = [[  0.00,   0.00,   0.20],
      [  0.00,   0.76,  -0.48],
      [  0.00,  -0.76,  -0.48]]*Angstrom

c2 = [[  0.00,   0.00,   0.28],
      [  0.00,   0.76,  -0.48],
      [  0.00,  -0.76,  -0.48]]*Angstrom

c3 = [[  0.00,   0.00,   0.36],
      [  0.00,   0.76,  -0.48],
      [  0.00,  -0.76,  -0.48]]*Angstrom

# Define the coordinate list.
coordinates = [c0, c1, c2, c3]

# Set up a list of configurations.
configuration_list = [ MoleculeConfiguration(elements,c) for c in coordinates ]

# Create a Trajectory only - no analysis.
t = MakeTrajectory(configuration_list)

# Define calculators on each configuration - for analysis.
for c in configuration_list:
    c.setCalculator(LCAOCalculator())

# Create a Trajectory with a TotalEnergy analysis carried out on each configuration.
t = MakeTrajectory(configuration_list, TotalEnergy)