Successful RosettaCM?

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    • August 19, 2020 at 1:53 pm #3545
      Anonymous

        Hello,

        I recieve this message following my comaprative modeling for a single structure (as a test) as seen in the attahced screenshot. Was my run successful or is there something wrong with the generated PDB structure? Any information would be appreciated. I am just confused with the lines:

        core.optimization.Minimizer: (0) [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!

        protocols::checkpoint: (0) Deleting checkpoints of FastRelax

        protocols.rosetta_scripts.ParsedProtocol: (0) setting status to success

      • August 20, 2020 at 3:25 pm #15462
        Anonymous

          Hello,

          The “WARNING” line is nothing to worry about! it just means the minimizer didn’t converge, but usually when that doesn’t happen by 200 cycles its just stuck making  minute perterbatons.  Often times, increasing the number of cycles from 200->2000 only slows things down, while resulting in a structure that is visually identical to the 200 cycles structure.

          • August 20, 2020 at 6:00 pm #15464
            Anonymous

              Thank you. This is what i suspected. I simply wanted some confirmation.

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