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).
- (c) 2015-2023 Barcelona Supercomputing Center
- (c) 2015-2023 Institute for Research in Biomedicine
Licensed under the Apache License 2.0, see the file LICENSE for details.
Version History
Version 5 (latest) Created 4th Mar 2024 at 15:28 by Genís Bayarri
Update to 4.1.*
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Version-5
b82ee10
Version 4 Created 26th Jul 2023 at 10:36 by Genís Bayarri
Fixed importlib_metadata bug
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Version-4
caf139d
Version 3 Created 14th Apr 2023 at 09:29 by Genís Bayarri
Update to BioBB 4.0.*
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Version-3
bb8756f
Version 2 Created 15th Sep 2022 at 13:29 by Genís Bayarri
Update to BioBB 3.8.*. taken from Git commit faad0ab
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Version-2
ca1dc63
Version 1 (earliest) Created 30th Jun 2021 at 12:47 by Genís Bayarri
Initial commit. Taken from Git commit 5ae6892
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Version-1
e180f4e
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Views: 4148 Downloads: 938
Created: 30th Jun 2021 at 12:47
Last updated: 4th Mar 2024 at 15:30
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