Shake Topology Generator example

MolarVerse / PQAnalysis

PQAnalysis is a API/CLI python package for the analysis of MD simulations

https://molarverse.github.io/PQAnalysis/

MIT License

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Shake Topology Generator example #94

Closed 97gamjak closed 3 months ago

97gamjak commented 4 months ago

Prepare an examplary notebook for a show case on how to use the shake topology generator. This should be considered as a kind of tutorial and will be later on also included in a future Tutorial section in the documentation.

@Lucky-Armin