mdtraj.compute_inertia_tensor¶
-
mdtraj.
compute_inertia_tensor
(traj)¶ Compute the inertia tensor of a trajectory.
- For each frame,
I_{ab} = sum_{i_atoms} [m_i * (r_i^2 * d_{ab} - r_{ia} * r_{ib})]
- Parameters
- trajTrajectory
Trajectory to compute inertia tensor of.
- Returns
- I_ab: np.ndarray, shape=(traj.n_frames, 3, 3), dtype=float64
Inertia tensors for each frame.