The infinite chi-squared value may have always have been there. However this value is now being caught by Gary Thompson's floating point code (which was ported to the 1.3 line in r2717 at https://mail.gna.org/public/relax-commits/2006-11/msg00012.html) and the error is thrown. This is still indicative of a bug as an infinite value should never be encountered. Would you be able to rerun the script with the '--debug' flag and then attach the relax saved state file to the bug report?
Cheers, Edward On 11/7/06, Alex Hansen <[EMAIL PROTECTED]> wrote:
URL: <http://gna.org/bugs/?7641> Summary: Infinite Chi2 warning Project: relax Submitted by: viochemist Submitted on: Monday 11/06/2006 at 10:38 Category: relax's source code Priority: 5 - Normal Severity: 3 - Normal Status: None Privacy: Public Assigned to: None Originator Name: Originator Email: Open/Closed: Open Release: Repository: 1.3 line Operating System: All systems _______________________________________________________ Details: After a short hiatus, and seeing the local_tm fix, I updated my 1.3 line to revision 2754. When I run the local_tm calcuation now, I receive a warning of: RelaxError: The invalid chi-squared floating point value of infinity has occurred. And, since local_tm fails, all subsequent models also fail. Any thoughts? _______________________________________________________ Carbon-Copy List: CC Address | Comment ------------------------------------+----------------------------- Available only the item webpage | Submitted the item _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?7641> _______________________________________________ Message sent via/by Gna! http://gna.org/ _______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
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