mdtraj.compute_center_of_mass¶
-
mdtraj.compute_center_of_mass(traj, select=None)¶ Compute the center of mass for each frame.
- Parameters
- trajTrajectory
Trajectory to compute center of mass for
- selectstr, optional, default=all
a mdtraj.Topology selection string that defines the set of atoms of which to calculate the center of mass, the default is all atoms
- Returns
- comnp.ndarray, shape=(n_frames, 3)
Coordinates of the center of mass for each frame