msmbuilder.msm_analysis.propagate_model¶

msmbuilder.msm_analysis.propagate_model(transition_matrix, n_steps, initial_populations, observable_vector=None)[source]¶

Propogate the time evolution of a population vector.

Parameters:

T : ndarray or sparse matrix

A transition matrix

NumSteps : int

How many timesteps to iterate

initial_populations : ndarray

The initial population vector

observable_vector : ndarray

Vector containing the state-wise averaged property of some observable. Can be used to propagate properties such as fraction folded, ensemble average RMSD, etc. Default: None

Returns:

X : ndarray

Final population vector, after propagation

obslist : list

list of floats of length equal to the number of steps, giving the mean value of the observable (dot product of ObservableVector and populations) at each timestep