ADL: an error in energy grid calculation while running DOVIS

Kukol, Andreas a.kukol at herts.ac.uk
Wed Jun 17 12:13:35 PDT 2009


Yes, this has to do with the permissions to execute files under Linux. You need to make all DOVIS programs (.py and others) executable for all users, if DOVIS has been installed by root.

Alternatively each user need to install his/her own local copy of DOVIS.

Best wishes
Andreas
________________________________________
From: autodock-bounces at scripps.edu [autodock-bounces at scripps.edu] On Behalf Of liangzichem [liangzichem at yahoo.com.cn]
Sent: 17 June 2009 08:48
To: autodock
Subject: ADL: an error in energy grid calculation while running DOVIS

Hi, all

When I started a DOVIS docking run, there was an error in energy grid calculation and job has stopped.
The error message is:

../dovis_dock_main.pl -p project_specs
Clean up 'jobs' directory
Creat job_list from ligand_list
Computing energy grids ...
Energy grid calculation PID 720
There was an error in energy grid calculation.
STOP!
PID 720 finished
There was an error in energy grid calculation.
STOP!

Could you please suggest me  any solution?

Thank you very much
Vivian Fang
2009-06-17



liangzichem
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