number of ensembles option in gajoe

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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emartin1
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Joined: 2012.08.06 21:22

number of ensembles option in gajoe

#1 Post by emartin1 » 2015.03.21 01:00

Could someone please elaborate on how the "Enter Number of Ensembles" option impacts the calculation? I am basically unsure why the manual would strongly (in CAPS) suggest not using more than 200? Because I don't see why this would be, it likely means I'm missing something central to how the genetic algorithm is working.

Thanks a lot,
Erik

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Hayds
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Location: EMBL, Hamburg

Re: number of ensembles option in gajoe

#2 Post by Hayds » 2015.03.24 09:37

Hi Erik,

The number of ensembles used for the crossing procedure in the genetic algorithm is not hard limited to 200. 200 is just a suggested max for the sake of computation time. Have you tried using more than 200?

Cheers,

Haydyn

emartin1
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Re: number of ensembles option in gajoe

#3 Post by emartin1 » 2015.03.24 21:40

No, I was having some concerns about artifacts of poor sampling in my fits and thought to increase this parameter. I then saw that it was suggested not to go above 200 - this caused me to wonder if I'd misinterpreted what it was.

If it is just computational time, that is fine. I might give it a go... perhaps waiting until the weekend.

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