ADL: autodock 3.05 on linux cluster?

Daniel Jana dfjana at
Mon Nov 19 14:46:19 PST 2007


Gyanendra Kumar wrote:
> I have been using AutoDock 3.05 for the last couple of years on a desktop
> running on linux OS. I now want to use AutoDock 3.05 and possibly AutoDock 4
> as well, on a linux cluster. The IT dept here which maintains the cluster,
> is having some trouble making it work. Could anybody using AutoDock on a
> linux cluster share the required scripts and executibles?

What kind of problems are you running into? The executables we use are 
the regular autodock files (though we don't run parallel calculations, 
we only use one processor for each job [is this ok for you?]). The 
scripts in themselves are dependent on the queuing system your cluster 
uses. We use Sun Grid Engine. Is it by any chance the same as yours?


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