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: https://wenmr.science.uu.nl/haddock2.4/run/1577259249/206447-MGB28_ACTA_WR_5
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:
https://bianca.science.uu.nl/haddock2.4/run/1111111111/206916-test
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.
https://bianca.science.uu.nl/haddock2.4/result/9694739213/206629-trial
| www.sharjah.ac.ae 
Well - since we can not reproduce the error I guess we can close this one.
