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SimStore and the OpenPathSampling CLI (part 1) [Mini-Tutorial]

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Aug 30, 2021
15:48

This is part 1 of a 3-part series on our new storage subsystem, SimStore, and the OpenPathSampling Command Line Interface (CLI). This part focuses on storing simulation setup using SimStore. Useful links: * Mini-Tutorial Repository: https://github.com/openpathsampling/mini-tutorials * OpenMMTools: https://openmmtools.readthedocs.io/ * The first TIS paper: https://doi.org/10.1063/1.1562614 Using OpenPathSampling 1.5.0 and OpenPathSampling CLI 0.2. Presented by David W.H. Swenson.

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SimStore and the OpenPathSampling CLI (part 1) [Mini-Tutorial] | NatokHD