User Guide Topics
So far, the OPS documentation is partial, and not fully organized. However, we’ve been writing up detailed descriptions on various topics as the need arises, often based on user feedback. There are those documents. Eventually, this will be reorganized into a structured user guide. We want our early users to have access to as much documentation as possible, so we’re providing this here the unorganized form.
- OpenPathSampling terminology
- Preparing for path sampling
- Setting up sample sets
- Output during simulations
- Data objects
- Creating collective variables
- Ensembles apply to trajectories, not frames
- Common setups
- Which network should I use?
- Transitions and Networks
- TIS Analysis
- Advanced Uses of OPS Ensembles
- How I use OpenPathSampling