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Hello Syed-- > > I am calculating structure with NOE-derived distance restraints and NH RDCs. > After calculating the structure when I compare the calculated RDCs and > experimental RDCs there is consistent violation of around 1 Hz in few > residues present in B-strand. Is there way to put stronger force for RDC > restraints in XPLOR so that structure come out according to experimental RDCs > regardless if it gives more NOE or dihed (talos) violations. This is just a > basic question, I would appreciate your response in this regard. > you can always increase the RDC force constant. In eginput/gb1_rdc/refine.py this can be achieved by changing the RampedParams line to something like: rampedParams.append( MultRamp(0.05,20.0, "rdcs.setScale( VALUE )") ) best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.10 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.9 <http://mailcrypt.sourceforge.net/> iEYEARECAAYFAkwqUPIACgkQPK2zrJwS/lYVPACaAprbn5fg9cEI+XKvNpGlkVzr FrAAn1JhpWTAIHzE1z+XfIYhqeJHSvRF =mAj8 -----END PGP SIGNATURE-----
