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Hello ??????--
> I have generated a peptide(22 residues) 20 acceptable structures only
> based on a set of NOE restraints using
> ¡®tutorial/nmr_torsion/nmr_torsion.inp¡¯. the result showed the
> peptide contain 2 helix ranges and had good RMSDs, but ramachandran
> plot is not satisfying. Then, as John Kuszewski¡¯s suggestions. I used
> eginput/gb1_rdc/anneal.py script to generate structures in order to
> use rama potential and I replaced the rdc restrains with kong.tbl. but
> I got a coil structure and many dihedral angles are in the range of ¦Â
> sheet in ramachandran plot. Which is dramaticly different from the
> result which were generated by nmr_torsion.inp.
what is kong.tbl? If you don't have rdc data, the rdc setup should be
commented out.
best regards--
Charles
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