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Hi-- > I am using residual dipolar coupling to refine protein structure in > xplor-nih.I don't know which step to do grid search to find the values of > Da and rhombicity using grid_search.inp. Before calculating using dipolar > coupling or after? > you perform the grid search first and use the Da and Rh you determine in the refinement. Note that the RDCPot term in the python interface allows floating Da and Rh- this should allow for more accurate calculations, and reduced sensitivity to inaccurate initial values of Da and Rh. regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.2.1 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8 <http://mailcrypt.sourceforge.net/> iD8DBQFBNTvhPK2zrJwS/lYRAlYHAJ0ULDCFUY6ZPJ/2IFlQQ6G20xO3YwCfdU21 ke+ziblF0vp3eAFIZR/WjfY= =MpHR -----END PGP SIGNATURE-----
