I purchased a 3 day subscription on 30 January. The first job I submitted then has still not started to compute - it is still saying it is waiting to start. Can you tell me why this job has not even started ?

Thanks

Robert Townsend

Dear Dr. Townsend,

there was error in the preapared ligand structures, this is why these calculations went into an infinite waiting cycle. The error you had is a known problem and we are try to working out some solution for it. Namelly, the sdf files downloaded from Pubchem are mol files in reality and they work only if you rename their extension from sdf to mol (I put these files under your account). The best way to avoid this problem using directly our download from Pubchem function. Please note, if there is no date in the table after the "Finished" status, it indicates some kind of error.

Your subscription has been extended so you can now restart your docking calculations with the newly created ligands (with mol extension). Thank you for your comments and patience!

Hi again

I got several jobs to run today OK, and then made sure that all of the additional files were in mol format and not in sdf .

But later during the day when I click on the "StartDocking" button I get no responsse and am unable to set up the next docking run.

I have tried running in two different browsers ( IE and Firefox)

I have also cleared all of my private data ( cache, cookies etc etc etc) from both browsers and still cannot get the "StartDocking" button to respond .

I now have 25 runs in my current docking file - should I move them to a separate folder ?

Any suggestions ?

Thanks again

Robert Townsend

Hello,

you have reached the daily docking limit of 10 for 3 day users, but because of the manual extension of your subscription you did not get an error message, just got a non-responding button. We have corrected this issue, and you should be able to start calculations now.

Kind Regards,
Zsolt