[phenixbb] convergence in Phenix real space refinement
Robert Oeffner
robert at oeffner.net
Thu Oct 19 01:15:47 PDT 2023
Hi,
I'm curious to know when convergence has been obtained in
phenix_real_space_refine. I see the number "moved from start" in the log
file and assume that once it doesn't change much after several macro
cycles then convergence has been obtained when refining a structure.
True? What is that value based on, the RMSD between the initial
structure and the final structure? I didn't find this documented in the
2018 publication of the program.
Many thanks,
Rob
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