Hi CJ-- > > Thanks for the input! I added the line of code you suggested, which returned > 11. I expect this result since the protein I'm working with is a symmetric > 11-mer.
That explains the error then- the assignment matched 11 atoms, but the term wants a single one. You have two choices: 1) generate 11 copies of your assignment table specifying different appropriate values of segid (ChainID) 2) use Xplor-NIH's strict symmetry facility and apply the chemical shift restraint to the protomer only. > I tried Bryon Mahler's suggestion of changing the format to "plain" > (the restraint table is in talos format). This seems to be working - I get no > error message. Interestingly the corresponding potential term has an energy of > zero during minimization -- is there still something I'm not getting quite > right? I guess it reads no restraints in that case- I don't think you want that. best regards-- Charles ######################################################################## To unsubscribe from the XPLOR-NIH list, click the following link: http://list.nih.gov/cgi-bin/wa.exe?SUBED1=XPLOR-NIH&A=1
