Re: [phenixbb] Run time error while refining

Hi Jeff, Thanks a lot. It worked fine after turning off rotamer outlier correction and sidechain rotamer consistency in the torsion NCS options. Subhani On Fri, Jun 22, 2012 at 9:22 AM, Jeff Headd wrote:

Hi Subhani,

Are you using torsion NCS restraints? If so, the problem is the rotamer outlier/consistency methods. We are aware of the problem, and are working on a fix. In the meantime, if you turn off rotamer outlier correction and sidechain rotamer consistency in the torsion NCS options, that should avoid the problem with the current version of Phenix.

Jeff

On Fri, Jun 22, 2012 at 7:02 AM, Subhani Bandara wrote:

...

Hi everyone,

I got the following error message while running refinement in mac, using PHENIX-1.8-1069. This occured when refined after editing Ramachandran outliers in coot, without applying Ramachandran restraints. Not sure wether it has something to do with this.

RuntimeError : Estimated memory allocation for cubicles exceeds max_number_of_bytes:

This may be due to unreasonable parameters:

cubicle_edge=5

space_span=(3528.41,3528.41,3442.53)

n_cubicles=(706,706,689)

max_number_of_bytes=2147483648

Any suggestions!

Thanks

Subhani

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