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June 1, 2011 at 4:32 pm
#5680
Anonymous
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:
http://www.rosettacommons.org/content/how-set-options-under-pyrosetta