Calculate the dipole Angle distribution of water molecules.
my code: import matplotlib.pyplot as plt import MDAnalysis as mda import maicos u = mda.Universe("D:/jisuanwuli/vmd1/1Na.pdb", "D:/jisuanwuli/vmd1/c20t.dcd") group_O = u.select_atoms('type O*') group_H = u.select_atoms('type H*') dpa = maicos.modules.dipoleangle.DipoleAngle([group_O, group_H], dim=2, output='dipangle.dat', concfreq=0).run() dipole = dpa.results.cos_theta_i print(dipole) error: File "D:\ceshi.py", line 8, in dpa = maicos.modules.dipoleangle.DipoleAngle([group_O,group_H], dim=2, output='dipangle.dat', concfreq=0).run() File "D:\python\lib\site-packages\maicos\modules\dipoleangle.py", line 59, in init super(DipoleAngle, self).init(atomgroup, File "D:\python\lib\site-packages\maicos\core\base.py", line 131, in init if self.atomgroup.n_atoms == 0: AttributeError: 'list' object has no attribute 'n_atoms'
May I ask what caused the error, thank you!