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