On Tue, Aug 12, 2008, David Witte wrote:
> >I completed a structure calculation with CYANA using distance
> >restraints derived from NOESY spectra and dihedral angles as input.
> >I started the structure refinement with Amber8 using the final CYANA
> >output for these calculation. Now I want to use RDCs in addition to
> >the distance restraints and the dihedral angles as input, But the
> >calculation gives the exact same result with and without RDCs (RMSD
> >and violated constraints) indicating that Amber8 does not use the
> >RDCs as input. Also Amber8 reports in the logfile the same number of
> >constraints used for structure refinement with and without RDCs as
> >input. The RDC part of my restraints file looks like this:
What value of nmropt are you using? You should probably post the entire
input file, not just the RDC part.
...dac
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Received on Wed Aug 13 2008 - 06:07:44 PDT
