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genrestr bb, possibility to add the new position restraint file in the topology (avoiding overwrite) #13

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adamhospital opened this issue Dec 23, 2020 · 5 comments
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@adamhospital
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gmx genrestr bb is now typically used to overwrite an already existing position restraint file, because it is already included in the GROMACS topology file as ifdef. Example:

; Include Position restraint file
#ifdef POSRES
#include "posre_Protein_chain_C.itp"
#endif

Could we explore the possibility to have a new bb or an extension of this one, able to modify the topology with the new protein restraint itp files inside?

@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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