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) 2015-2022 Barcelona Supercomputing Center
- (c) 2015-2022 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 15:34 by Genís Bayarri
Update to 4.1.*
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Version-5
43676ad
Version 4 Created 26th Jul 2023 at 10:39 by Genís Bayarri
Fixed importlib_metadata bug
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Version-4
e91b3bc
Version 3 Created 14th Apr 2023 at 09:42 by Genís Bayarri
Update to BioBB 4.0.*
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Version-3
a4388d0
Version 2 Created 23rd Nov 2022 at 08:57 by Genís Bayarri
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version-2
2ccc69e
Version 2 (earliest) Created 28th Sep 2021 at 14:24 by Genís Bayarri
Updated to biobb 3.8.*. Taken from Git commit e3f4d687bed26bf2f247df8e4d064f44ff1fd280
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Version-2
e3f4d68
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Views: 4015 Downloads: 1014
Created: 28th Sep 2021 at 14:24
Last updated: 14th Apr 2023 at 09:42
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