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Thread Status: Active Total posts in this thread: 13
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Seoulpowergrid
Veteran Cruncher Joined: Apr 12, 2013 Post Count: 823 Status: Offline Project Badges:
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Lawerence,
----------------------------------------Thank you for clarifying for me. The opening post mentioned "FAHV batch 647,976" and a later post with "663,034." My number was a good 400,000 lower so I figured I missed something. Is it normal to bounce around so much? I figured they were more or less going in a 1, 2, 3 order as opposed to 600,000....200,000...400,000. Some of it has to be AD Vina and AutoDock but the rest I am unsure. Thanks much ![]() [Edit 1 times, last edit by Seoulpowergrid at Mar 5, 2014 9:02:55 AM] |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Hello Seoulpowergrid,
Is it normal to bounce around so much? It used to be very unusual when we were only running Autodock. Now that we are also running Autodock-Vina, things have sped up enormously. As though we used to sip from a straw and now have to drink from a fire hose. We have batches from a lot of different experiments on the server at the same time and each experiment has its own range of batch numbers. Each Autodock-Vina work unit would have to be split up into a large number of sub-units if run on Autodock. But sometimes a molecule has a shape that requires Autodock to handle so we have to compute it the slow way.Lawrence |
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Seoulpowergrid
Veteran Cruncher Joined: Apr 12, 2013 Post Count: 823 Status: Offline Project Badges:
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Lawrence,
----------------------------------------I read the posting soon after you wrote it but forgot to thank you for the information. Thanks much. Scientist Dan just updated the status page so I'm looking forward to seeing the difference of results since the last update. ![]() |
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