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Change pre-configured mdp files #7

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adamhospital opened this issue Jul 1, 2022 · 5 comments
Open

Change pre-configured mdp files #7

adamhospital opened this issue Jul 1, 2022 · 5 comments
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@adamhospital
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Pre-configured mdp files in the gromacs.grompp and gromacs.grompp_mdrun building blocks should be changed by the official GROMACS mdp files from the official MD setup tutorial:
https://gitlab.com/gromacs/online-tutorials/md-intro-tutorial/-/tree/main/data/input
@gbayarri gbayarri transferred this issue from bioexcel/biobb_md May 4, 2023
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github-actions bot commented Jun 4, 2023

This issue is stale because it has been open for 30 days with no activity. If there is no more activity in the following 14 days it will be automatically closed.

@github-actions github-actions bot added the stale label Jun 4, 2023
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This issue was closed because it has been inactive for 14 days since being marked as stale.

@PauAndrio PauAndrio removed the stale label Sep 8, 2023
@PauAndrio PauAndrio reopened this Sep 8, 2023
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github-actions bot commented Oct 9, 2023

This issue is stale because it has been open for 30 days with no activity. If there is no more activity in the following 14 days it will be automatically closed.

@github-actions github-actions bot added the stale label Oct 9, 2023
@gbayarri gbayarri reopened this Oct 16, 2023
@github-actions github-actions bot removed the stale label Oct 17, 2023
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This issue is stale because it has been open for 30 days with no activity. If there is no more activity in the following 14 days it will be automatically closed.

@github-actions github-actions bot added the stale label Nov 16, 2023
@gbayarri gbayarri reopened this Nov 24, 2023
@github-actions github-actions bot removed the stale label Nov 25, 2023
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This issue is stale because it has been open for 30 days with no activity. If there is no more activity in the following 14 days it will be automatically closed.

@github-actions github-actions bot added the stale label Dec 25, 2023
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@PauAndrio @adamhospital @gbayarri