Molecular Dynamics, Python Programming, Plotly, Mdanalysis, Charge.
get the overall dipole vector of the system. for timestep in data: total_dipole_vectors = [] for atom in atom_group: dipole_vector = [ atom.position[0] * atom.charge, # X atom.position[1] * atom.charge, # Y atom.position[2] * atom.charge # Z ] total_dipole_vectors.append(dipole_vector) Once we have