Molecular Dynamics, Python Programming, Plotly, Mdanalysis, Charge.
frame it won’t work. Set up our analysis frames: starting_frame = 0 ending_frame = 50000 skip = 10 data = universe.trajectory[starting_frame:ending_frame:skip] atom_group = universe.select_atoms('segid CHAIN_ID') We will have to take each atom in the system and sum each individual dipole vector to