[Xplor-nih] two questions

[vered marks]

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