On Thu, Nov 03, 2011, Anglea A. wrote:
> Dear Professor David
> Your recommendations solved the problems.
> How can I amend the number of LBFGS steps in "LBFGS TNGC method"?
> Setting lbfgs_memory_depth value to 3 (default) would run LBFGS
> preconditioning in TNCG minimization?
I don't know...I never use anything but the defaults for ntmin=3, and that
seems to work fine (for my jobs, which often involve minimizing to quite low
gradient rmsd's).
If the manual is not clear, you may have to study the code to see what is
really going on.
...dac
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Received on Thu Nov 03 2011 - 05:30:03 PDT
