OpenPathSampling
Installation
Platforms
Dependencies
Testing Your Installation
OpenPathSampling Examples
Alanine Example
Langevin Example
Multiple State TIS Example
Sliced Example
OpenPathSampling Storage
Toy Dynamics Example
Guides to OpenPathSampling
Levels of Users
For Beginners
For advanced users
Topics
Ensembles vs Volumes
What’s New?
Frequently Asked Questions
Discussion Forums
CollectiveVariable Functions
basic orderparamters
simple collectivevariables
mdtraj orderparamters
msmbuilder3 collectivevariables
Volume Functions
basic volumes
set-based volume combinations
collective variable-based volumes
voronoi cell volumes
volume factory
Ensemble Functions
Abstract class
Basic Ensembles
Volume Ensembles
Set-based Ensemble combinations
Length specific Ensembles
Trajectory Altering Ensembles
Sequential Ensembles
TIS-specific Ensembles
Ensemble Functions
ShootingPointSelector Functions
basic selector
special selector
PathMover Functions
Abstract class
Changing the trajectory
Changing the ensemble
Combining movers
Swapping movers
Logical movers
Pre-made combined movers
mover factory
PathSimulator Functions
basic pathsimulators
special pathsimulators
Engine Functions
engine basic
OpenMM
Storage Functions
storages
stores
TreeMixin
The TreeMixin class
Trajectory Functions
trajectory
netCDF+ package
Overview
API Reference
API Functions
CollectiveVariable
Dynamics Engine
Shooting
Ensemble
Volume
PathMover
Storage
Snapshot
Trajectory
README
Building the documentation
OpenPathSampling
Docs
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Trajectory Functions
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Trajectory Functions
¶
trajectory
¶
Trajectory
([trajectory])
Simulation trajectory.