Help on job https://mobyle.rpbs.univ-paris-diderot.fr/data/jobs/attract/H28106754283905

[pkrupa]

Dear Sir or Madam,

I’ve tried to run ATTRACT for docking not using the grid, but I’m getting error “/service/attract/run-attract.sh: line 4: ./attract.sh: No such file or directory” at the very first step. Could you please take a look what is the problem?

Best regards,
Pawel Krupa

Session information:

• id: M20274307315111
• email: None
• activated?: True
• authenticated?: False

Job information:

• id: https://mobyle.rpbs.univ-paris-diderot.fr/data/jobs/attract/H28106754283905
• date: Tue, 04 Aug 2020 16:04:35 +0000
• status: finished
• user error in parameter: None
• user error message: None

[devries]

Dear Pawel,

Sorry for the late response.

It seems that your ATTRACT parameter file was generated using an advanced ATTRACT web interface, where non-bonded grids were disabled. This makes the docking extremely slow, and we do not allow this on our server.

I am sorry, the error message could have been clearer.

best

Sjoerd