Dear all, 

Is  is possible to save all the structures generated in ensemble refinement before Ensemble reducer stage?

Thanks in advance.
Raji

Rajendra Sharma
Research Scholar, PhD.

Centro Nacional de Biotecnología,

Universidad Autónoma de Madrid,

Madrid, Spain.
Mobile No. +31-656688390


On Tue, Nov 22, 2016 at 12:26 PM, Rajendra Sharma <rajenbiotech@gmail.com> wrote:
Dear all,

I am running  ensemble refinement using phenix-1.10. The calculations are running good until the Ensemble reducer where the jobs get killed  in some cases automatically without giving output pdb. I am using default setting to run the jobs. 

pdb_stored_per_block is 50 totaling 500 towards the end. Is the crash happening because of memory? Will reducing the number of pdb per block help?

Secondly, how can I restart the killed runs? 

thanks in advance.

Raji

Rajendra Sharma
Research Scholar, PhD.

Centro Nacional de Biotecnología,

Universidad Autónoma de Madrid,

Madrid, Spain.
Mobile No. +31-656688390