Failed error message

Dear Sir/Madam,

We sent a job on Haddock 2.4, but the run failed (see below). Can you please advise us regarding this error.

Thank you in advance

Best regards

Hasan Alniss

Job number: 206447

URL of the results page:

Hi Hasan

We found the origin of the problem but would like to see if you have edited some specific parameters in the web form related to the interaction matrix?

Did you change anything, or emptied may-be some fields?

Actually we can not reproduce the problem. So any info about what you exactly did in setting up that run would help.

Looking at your data it seems like you used the refinement interface. If this is the case then your system runs fine in our hands:

But the results look crap… Did you intend to turn off the interaction energy between the two ligands?

Thank you for your response. I asked the research assistant who submitted the run and he said that he used the default settings and did not change anything. We are interested in finding out the interactions between the ligand dimer and DNA, not between the two ligands.

I tried myself to do structure refinement to the same complex and I got good results. The haddock score was - 213. I do not know what was the problem.
See the link below.

Hasan Yaser Hasan Al Niss
Associate professor
College of Pharmacy
Medicinal Chemistry
T: +97165057427 | E:

Well - since we can not reproduce the error I guess we can close this one.