mdtraj.compute_gyration_tensor¶
- mdtraj.compute_gyration_tensor(traj)[source]¶
Compute the gyration tensor of a trajectory.
For every frame,
\[S_{xy} = sum_{i_atoms} r^{i}_x r^{i}_y\]- Parameters:
traj (Trajectory) – Trajectory to compute gyration tensor of.
- Returns:
S_xy – Gyration tensors for each frame.
- Return type:
np.ndarray, shape=(traj.n_frames, 3, 3), dtype=float64
References