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Hello Michael-- > > I began to suspect that my distance restraints from CYANA were just a > little to "tight" (and thus conflicting with other terms in the > potential function). So, I went back and loosened them up a bit (with > CYANA's calibration routine) and I got many fewer NOE violations, but > still a lot of VDW violations. Still, I felt this was progress. a note on VDW violations: they are currently not so reliable as they don't include the nonbonded exceptions in the PSF. This will be addressed in a future version of Xplor-NIH. Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.6 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8 <http://mailcrypt.sourceforge.net/> iD8DBQFF/wSDPK2zrJwS/lYRAqwMAJ9Hqw+6JLpr6cSQpusFV7Nx51TqyACfU3wE gmZJbrN9dx2SBVHhTgPXlbE= =b6SU -----END PGP SIGNATURE-----
