dtrj

Functions dealing with discrete trajectories.

Discrete trajectories must be stored in arrays. Arrays that serve as discrete trajectory must meet the requirements listed in mdtools.check.dtrj().

Functions

locate_trans	Locate the frames of state transitions inside a discrete trajectory.
remain_prob	Calculate the probability that a compound is in the same state as at time \(t_0\) after a lag time \(\Delta t\)
remain_prob_discrete	Calculate the probability that a compound is in the same state as at time \(t_0\) after a lag time \(\Delta t\) resolved with respect to the states in second discrete trajectory.
trans_ix	Get the frame indices of state transitions in a discrete trajectory.
trans_per_state	Count the number of transitions leading into or out of a state.
trans_per_state_vs_time	Count the number of transitions leading into or out of a state for each frame in a discrete trajectory.