newanalysis.diffusion.msdMJCharges

newanalysis.diffusion.msdMJCharges(coms_cat, coms_an, maxlen=None, charge_cat=None, charge_an=None)

Takes two center-of-mass arrays of the whole unfolded trajectory, one for cations, the other for anions. Multiplies CoM by charge. Cations and Anions can have different n_residues