ADL: Virtual screening using autodock vina
hiteshreebuch1996 at gmail.com
Mon Apr 27 03:25:53 PDT 2020
I have been using autodock vina on windows 10 and ubuntu using vina manual. Also, in ubuntu I had run shell script for virtual screening but unfortunately in both the ways I got no results. As docking starts, it stops at the step “Performing search” (it just sticks at 0) and hence docking couldn’t proceed. I have kept it for 6-8 hours but it hasn’t even shifted from 0 to 10.
I have tried to do protein-ligand docking and also virtual screening of one protein with 25 ligands, but at same stage it stops. What should I do?
I am attaching a screenshot of what has happened and also the shell script.
Kindly suggest a way to get rid of this problem.
Thanks in advance.
-------------- next part --------------
An embedded message was scrubbed...
From: DG-Exchange Postmaster<postmaster at scripps.edu>
Date: Mon, 27 Apr 2020 15:55:53 +0530
More information about the autodock