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genrestr bb, possibility to add the new position restraint file in the topology (avoiding overwrite) #13
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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. |
This issue was closed because it has been inactive for 14 days since being marked as stale. |
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. |
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. |
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. |
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:
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?
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