[phenixbb] phenix ensemble ref.

Kajander, Tommi A tommi.kajander at helsinki.fi
Thu Mar 23 14:40:02 PDT 2017

Dear Pavel, Thanks for the answer - i might try that. Wouldnt it be good though to be able to sample the conformations only for one domain that has partly weak density?

-------- Alkuperäinen viesti --------
Lähettäjä: Pavel Afonine <pafonine at lbl.gov>
Päivämäärä: 23.03.2017 23.06 (GMT+02:00)
Saaja: "Kajander, Tommi A" <tommi.kajander at helsinki.fi>
Kopio: phenixbb at phenix-online.org
Aihe: Re: [phenixbb] phenix ensemble ref.

Hi Tommi,

not really... But a work-around may be to restraint the domain that you don’t want to more to its original position using reference harmonic restraints.


> On Mar 21, 2017, at 05:46, Kajander, Tommi A <tommi.kajander at helsinki.fi> wrote:
> Hi, is it possible to do ensemble refinement in phenix with just one domain? (and e.g. fix the other)
> Doens seem so?
> Thanks,
> Tommi

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