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NMRLipids / NMRlipidsIVPEandPG

NMRlipids IV project, PE and PG lipids
GNU General Public License v2.0
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Problem in automatic download of POPC trajectory and tpr #28

Closed ohsOllila closed 4 years ago

ohsOllila commented 4 years ago

We have been working with the NMRlipids databank building and the current scrip that generates databank is AddDara.py in here: https://github.com/NMRLipids/NMRlipidsIVPEandPG/tree/master/scripts/DataBankINFO

However, for some reason, when we run it for the POPC trajectory in here: https://doi.org/10.5281/zenodo.3474862 (ipython3 AddData.py POPCcharmmINFO in the above folder) it does not work because Gromacs says that the tpr is from old version. If we download manually, it works.

@pbuslaev could you try to reupload the data into that repository to see if we could get rid of this issue?

ohsOllila commented 4 years ago

I realized now that this problem was that the DOI was 10.5281/zenodo.3474862 which refers to all versions. After changing to 10.5281/zenodo.3474863 which refers to specific version it works.

So there is no need for action from @pbuslaev. I will close this.