[phenixbb] HA: rigid_body refinement

Irina PROKHOROVA prokhoro at igbmc.fr
Fri Apr 24 12:22:31 PDT 2015

Yes, thank you!
От: Pavel Afonine [pafonine at lbl.gov]
Отправлено: 24 апреля 2015 г. 21:05
Кому: Irina PROKHOROVA; phenixbb at phenix-online.org
Тема: Re: [phenixbb] rigid_body refinement

Hi Irina,

it needs to be

refinement.refine.sites {
  rigid_body = chain A or chain B

note "or" above, because this is a Boolean logic.

Does this work now?


On 4/24/15 12:01 PM, Irina PROKHOROVA wrote:

how can i select two chains to be refined as one rigid body? I tried
refinement.refine.sites {
  rigid_body = chain A and chain B
but it did not work.


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