Dihedral parameters are not found when Discover (or NMR-Refine) is used. WHY ?
Here are typical errors found in Discover ouputs: The following table summarizes the number of interactions for which parameters were either found explicitly in the force field file, automatically generated from bond order information, or set to zero if not available. Each of the major classes of interactions is reported separately. A detailed listing of all the interactions requiring automatically generated parameters has been printed in a separate file. The default name of the file is “fname”.prm (logical unit 1).  +———————————————————————————+  | BOND VALENCE TORSION OUT-OF- ANGLE*ANGLE|  | LENGTHS ANGLES ANGLES PLANES CROSS TERMS|  | |  | Available explicitly 393 704 0 66 0 |  | Assigned automatically 0 0 0 0 0 |  | Set to zero 0 0 1037 0 0 |  +———————————————————————————+ This run must stop because of unfound parameters. ANSWER For instance, i
