mdtraj.compute_inertia_tensor¶
- mdtraj.compute_inertia_tensor(traj)[source]¶
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:
traj (Trajectory) – Trajectory to compute inertia tensor of.
- Returns:
I_ab – Inertia tensors for each frame.
- Return type:
np.ndarray, shape=(traj.n_frames, 3, 3), dtype=float64