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problem with RDC refinemnet

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  • webtrekus
    Hi, all, I have a problem with the RDC refinement. when I only use N-HN RDC to refine my structure, the structure is perfect, the CNS energy is about 4000. but
    Message 1 of 1 , Apr 4, 2006
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      Hi, all,

      I have a problem with the RDC refinement.
      when I only use N-HN RDC to refine my structure, the structure is
      perfect, the CNS energy is about 4000. but when I use both N-HN RDC nd
      CACO RDC, the energy goes really high, about 20000, and also the
      structure lost the some secondary structure. after use both RDCs, the
      structure became a little worse, but it is ok.
      Does anyone know why this happened? How can I deal with both N-NH RDC
      and CACO RDC? does anybody have any ideas to get this problem solved
      and lower CNS energy?

      I appreciate your help.

      Tom
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