How long the job will run, can "Molecule 1" and "Molecule 2" be swapped?


The job will usually run once it is submitted, and I can see the progress percentage. However, today, it has been more than 8 hours after the status showing “Running” but it is still 0%. Can I ask is this normal?

By the way, can I confirm, there is no difference if the “Molecule 1” and “Molecule 2” are swapped? e.g. there is no difference between regarding antibody as “Molecule 1” and regarding antigen as “Molecule 1”?

Thank you!

We cannot estimate how long a job will take to complete, it depends on the computational resources available and how busy they are. So this is why you are not seeing the progress bar move, be patient :slight_smile:

As for the molecules, we do not check specifically for the contents of the input, so it can be in any order. However keep in mind that this might affect the restraints, in case you are providing a .tbl file.

Thank you very much. Maybe it is busy during weekends. :grinning:

Sure, it can be in any order. Thanks!

And currently we are experiencing issues with our grid computing resources… currently running Jobs might be hanging because of that.
You could resubmit - new jobs will be redirected to local resources for the time being.

Thank you for confirming this. Is that a quicker way to re-submit, or should I go through all the steps again?

I found a quicker way, i.e. download the parameter json file, then use the “HADDOCK file submission”.

That’s the way to go indeed via the file submit interface

found a quicker way, i.e. download the parameter json file, then use the “HADDOCK file submission”.

1 Like

In the “HADDOCK file submission”, there are two options, “Full parameter file” and “Param file + input”.

Is that correct that, if I choose the “Param file + input”, the input PDBs will overwrite the PDB information in the JSON file?

Yes correct

If you just want to repeat a run use the full json file (default)

Thank you. Maybe this “overwrite” can be added on the webserver?

1 Like

Its a good suggestion, we will look into it!