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Hi Jeff-- > > I used a derivative of sa.py (attached) to do torsion angle and Cartesian > minimization of a spin labeled protein, the minimizations included some NOE > and planeDist restraints. The noe energy, noe rms, and planeDist energies > were decreased by the minimization but the planeDist rms was increased. How > could the planeDist energy decrease and the planeDist rms increase? The > minimization script is attached. > this result does look pretty suspicious. It would help me immensely if you could send a tarred up example case to ftp://nmr.cit.nih.gov/pub/schwitrs/incoming/ best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.9 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iD8DBQFJkat6PK2zrJwS/lYRAqXhAJ4op00nvSvBjbJm7WlBHWQSGO9yvQCeJlHn JiUOIHg7kOKCDFkMH1Swd/k= =Nleg -----END PGP SIGNATURE-----
