Member Site Forums PyRosetta PyRosetta – General Minimization question Reply To: Minimization question


    w/r/t rounding error:

    Tiny rounding errors in atom placement amplify into huge rounding errors in score, because the clash part of the van der Waals term has distance ^ 12 dependency.

    w/r/t nblist_autoupdate
    Use this trick to manually activate the option: