ConveyorBelt: lambda of perturbed system get values assigned larger than 1.

rinikerlab / Ensembler

Ensembler is a python package that provides fast and easy access to 1D and 2D model system simulations. It can be used for method development or to deepen understanding of a broad spectrum of modeling methods, from basic sampling techniques to enhanced sampling and free energy calculations. It is easy to install, fast, increases shareability, comparability, and reproducibility of scientific code developments.

https://rinikerlab.github.io/Ensembler/index.html

MIT License

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ConveyorBelt: lambda of perturbed system get values assigned larger than 1. #44

Closed dfhahn closed 3 years ago

dfhahn commented 4 years ago

Code snippet:

import ensembler.ensemble.replicas_dynamic_parameters as cvb
ensemble = cvb.conveyorBelt(0.0, 8)
ensemble

RiesBen commented 3 years ago

fixed with branch #46