Reply To: Dunbrack rotamer energy term…

[Anonymous]

Thanks for the reply. I would just like some clarifications on the response.

1) When you say that it hurts rotamer recovery, is that after the energy coefficients have been refitted with the normalization? I ask this because changing the term would require a new set of coefficients. If you do have a new set of coefficients, would you mind sharing the wts_patch file for us to try in some of the problems that we are looking at?
2) Do rotamer recoveries decline across the board for most amino-acids? Or is it more of a mixed-bag?
3) How about the influence on design problems where I think that this will have the biggest impact?