Hi there, 1. While I am running nmr_torsion.inp , I am getting good results of the structure without any violations and RMSD less then 1 for the backbone. However, taking these data and using them in the sa.inp file leads to many violation, why? and what can I do to improve it?
2. How can I add to the accept.inp file the constraint of energies of the families of conformers besides the NOE and the dihedral angle? Thank you very much , Rose --------------------------------- Looking for last minute shopping deals? Find them fast with Yahoo! Search. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20080220/a795784d/attachment.html
