GAJOE 2.1 vs 1.3

Linear (OLIGOMER), and non-linear (MIXTURE) analysis, singular value decomposition (SVDPLOT), addition of missing fragments (BUNCH, CORAL), analysis of flexible systems (EOM/RANCH & GAJOE), flexible refinement of high-resolution models (SREFLEX)
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alava
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GAJOE 2.1 vs 1.3

#1 Post by alava » 2015.06.24 20:28

Hi,

I switched from a computer running GAJOE 1.3 to a new one, with version 2.1 on it. I have noticed that my run times have increased significantly (by atleast an order of magnitude). What could make the new version that much slower than the old?

Regards,

Abhijit

Addition:
After reading into this a bit more, I am led to believe that this is due to the variable ensemble size feature. Is this correct? Is there any way to disable that feature for good (to see if I really need it)?

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Hayds
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Re: GAJOE 2.1 vs 1.3

#2 Post by Hayds » 2015.08.05 03:56

Dear Abhijit,

I just want to make sure I understand your question. Are you asking if the number of ensembles can be fixed or the number of conformations in each ensemble?

Cheers,

Haydyn

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