pyrexMD: Workflow-Orientated Python Package for Replica Exchange Molecular Dynamics

Python Submitted 14 May 2021Published 01 December 2021
Review

Editor: @jgostick (all papers)
Reviewers: @janash (all reviews), @rosecers (all reviews), @jarvist (all reviews)

Authors

Arthur Voronin (0000-0002-5804-5151), Alexander Schug (0000-0002-0534-502X)

Citation

Voronin et al., (2021). pyrexMD: Workflow-Orientated Python Package for Replica Exchange Molecular Dynamics. Journal of Open Source Software, 6(68), 3325, https://doi.org/10.21105/joss.03325

Copy citation string · Copy BibTeX  
Tags

GROMACS physics biology replica exchange molecular dynamics contact bias

Altmetrics
Markdown badge

 

License

Authors of JOSS papers retain copyright.

This work is licensed under a Creative Commons Attribution 4.0 International License.

Creative Commons License

Public user content licensed CC BY 4.0 unless otherwise specified.
ISSN 2475-9066