biobb_gromacs
biobb_gromacs is the Biobb module collection to perform molecular dynamics simulations using the GROMACS MD suite.
Installation
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Description
biobb_gromacs
Introduction
Biobb_gromacs is the Biobb module collection to perform molecular dynamics simulations using the GROMACS MD suite. Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over popular bioinformatics tools. The latest documentation of this package can be found in our readthedocs site: latest API documentation.
Copyright & Licensing
This software has been developed in the MMB group at the BSC & IRB for the European BioExcel, funded by the European Commission (EU Horizon Europe 101093290, EU H2020 823830, EU H2020 675728).
- (c) 2015-2025 Barcelona Supercomputing Center
- (c) 2015-2025 Institute for Research in Biomedicine Licensed under the Apache License 2.0, see the file LICENSE for details.
About
Summary
biobb_gromacs is the Biobb module collection to perform molecular dynamics simulations using the GROMACS MD suite.
Last Updated
Dec 22, 2025 at 17:25
License
Apache-2.0
Total Downloads
13.7K
Supported Platforms
noarch
GitHub Repository
https://github.com/bioexcel/biobb_gromacsDocumentation
http://biobb_gromacs.readthedocs.io/en/latest/