Dear Charles, I ran pass2 and pass3 of PASD, the calculated structures did not converge at the end of pass3. I checked the final NOE restraints (created by convert_restraints_to_xplor.tcl). There are only a few long range noes (for instance out of 235 restraints of 2D noesy only three are long range). I also checked the converted shifts assignments and peaks from xeasy format to xplor, all of the assignments belonging to Pseudoatoms (for instance QD of Tyr or QD1 and QG2 of Ile) are missing. I was wondering if I missed something during conversion, and maybe I have to change the name of? pseudoatoms.
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