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