Docker Protein MD Setup tutorial
Version 1

Workflow Type: Docker
Stable

Protein MD Setup tutorial using BioExcel Building Blocks (biobb)

Based on the official GROMACS tutorial.


This tutorial aims to illustrate the process of setting up a simulation system containing a protein, step by step, using the BioExcel Building Blocks library (biobb). The particular example used is the Lysozyme protein (PDB code 1AKI).


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 H2020 823830, EU H2020 675728).

Licensed under the Apache License 2.0, see the file LICENSE for details.

Version History

Version 1 (earliest) Created 22nd Apr 2024 at 12:00 by Genís Bayarri

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Frozen Version-1 5756c27
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Citation
Hospital, A., & Bayarri, G. (2024). Docker Protein MD Setup tutorial. WorkflowHub. https://doi.org/10.48546/WORKFLOWHUB.WORKFLOW.826.1
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Views: 862   Downloads: 376

Created: 22nd Apr 2024 at 12:00

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