ADL: script for submitting Autodock jobs to supercomputer

Wilfred Li wilfred at sdsc.edu
Wed Jun 10 15:07:20 PDT 2009


https://www.nbcr.net:443/pub/wiki/index.php?title=Virtual_Screening_and_
Computer_Aided_Drug_Design_2008 


The AutoDock tutorial has one towards the end for PBS, and the relaxed
complex scheme has a tarball, which contains the example script using an
array job for SGE.

Cheers,

Wilfred


-----Original Message-----
From: autodock-bounces at scripps.edu [mailto:autodock-bounces at scripps.edu]
On Behalf Of a a
Sent: Tuesday, June 09, 2009 5:00 AM
To: autodock at scripps.edu
Subject: ADL: script for submitting Autodock jobs to supercomputer


Dear Sir/Madam,

 

I would like to run Autodock in supercomputer system.  Could you mind to
share a PBS quencing script that you use in supercomputer or linux
clusters to me?

 

Thank you.

 

Cat

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