Docker ABC MD Setup tutorial
Version 1

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Workflow Type: Docker
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AMBER Protein MD Setup tutorials 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) wrapping the Ambertools MD package.

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.

SEEK ID: https://workflowhub.eu/workflows/817?version=1

DOI: 10.48546/workflowhub.workflow.817.1

Version History

Version 1 (earliest) Created 22nd Apr 2024 at 09:35 by Genís Bayarri

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Frozen Version-1 f6e8969
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Citation
Hospital, A., & Bayarri, G. (2024). Docker ABC MD Setup tutorial. WorkflowHub. https://doi.org/10.48546/WORKFLOWHUB.WORKFLOW.817.1
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Apache License 2.0
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Views: 819   Downloads: 515

Created: 22nd Apr 2024 at 09:35

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