mdpy.core.Trajectory#

class mdpy.core.Trajectory(topology: Topology, contain_positions=True, contain_velocities=False, contain_forces=False)[source]#
__init__(topology: Topology, contain_positions=True, contain_velocities=False, contain_forces=False) → None[source]#

Methods

__init__(topology[, contain_positions, ...])

append([positions, velocities, forces])

set_pbc_matrix(pbc_matrix)

set_time_step(time_step)

unwrap_positions()

Attributes

forces

num_frames

pbc_diag

pbc_inv

pbc_matrix

positions

time_series

time_step

topology

unwrapped_position

velocities