Reply To: manually changing fixbb residue ref energies

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December 16, 2009 at 3:17 pm #4276
Anonymous

    Yes, someone is working on exactly this. He’s in the middle of writing up a paper on it and hopes to release the weight sets soon – but the code and weights haven’t been released yet.

    You can use the POLAR command in resfiles at surface positions to restrict the residue set to only polar residues as a temporary solution?