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OpenPathSampling Mini-Tutorials

This repository contains small tutorials that cover specific topics. If you're just getting started with OpenPathSampling, you'll probably be more interested in the introductory OPS tutorial.

The tutorials here have either been used in short workshops or have been the subject of screencasts on the OPS YouTube channel.

  • simstore_and_cli: This tutorial introduces the OPS command line interface (CLI) and shows how to use SimStore, our new storage subsystem, in OPS 1.x. (SimStore will become the default storage in OPS 2.0.) This tutorial uses these tools to set up and run a simple TIS simulation, and then analyze the results. Requirements: OpenPathSampling 1.5 or later; OpenPathSampling CLI 0.2 or later.

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