mdtraj.acylindricity

mdtraj.acylindricity(traj)

Compute the acylindricity of a trajectory.

For each frame compute the principal moments then,

\[c = \lambda_2^2 - \lambda_1^2\]

Parameters

trajTrajectory

Trajectory to compute gyration tensor of.

Returns

c: np.ndarray, shape=(traj.n_frames, 1), dtype=float64

Acylindricity of each frame of the trajectory.