[phenixbb] autobuild : annealing

[Tom Terwilliger]

Hi Bryan,
I think that you can supply a phenix.refine parameters file with "refine_eff_file_list=use_torsion_angle_params.eff" that specifies torsion-angle refinement to autobuild and then it should run annealing with torsion angles (I have not tried it, but that should work).
Let me know if that doesn't do it!
All the best,
Tom T

On Sep 21, 2010, at 12:40 PM, Lepore, Bryan wrote:

> [ phenix 1.6.4-486 ]
> 
> looks like autobuild annealing is Cartesian.
> 
> are there any (simple) tricks to get torsion, b/c seems there are no flags for it.
> 
> -bryan
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Thomas C. Terwilliger
Mail Stop M888
Los Alamos National Laboratory
Los Alamos, NM 87545

Tel:  505-667-0072                 email: terwilliger at LANL.gov
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