NMRWish Command List dynSimulate Simulation of Table Data (Shifts, Couplings, etc)

Command-Line Argument List

Alignment Tensor Specification Methods:
 -svd         SVD Calc of Saupe Matrix (Default).
 -saupe sList List of 5 Saupe Values (also: -align).
 -fixed       Fixed Da, Dr, and Rotations.
 -nofixed     Variable Da, Dr, and Rotations.
 -dadr        Fixed Da and Dr, Variable Rotations.
Alignment Tensor Magnitude and Rhombicity Limits:
 -da          [1.0e-3]  Initial DA Value.
 -daMin      [-1.0e-2]  Minimum Initial DA Value.
 -daMax       [1.0e-2]  Maximum Initial DA Value.
 -dr          [1.0e-4]  Initial DA Value.
 -drMin      [-1.0e-2]  Minimum Initial DA Value.
 -drMax       [1.0e-2]  Maximum Initial DA Value.
Rotation Angle Starting Values and Limits:
 -psi           [45.0]  Initial X-Axis Rotation.
 -psiMax       [360.0]  Maximum X-Axis Rotation.
 -psiMin      [-360.0]  Minimum X-Axis Rotation.
 -theta         [45.0]  Initial Y-Axis Rotation.
 -thetaMax     [360.0]  Maximum Y-Axis Rotation.
 -thetaMin    [-360.0]  Minimum Y-Axis Rotation.
 -phi           [45.0]  Initial Z-Axis Rotation.
 -phiMax       [360.0]  Maximum Z-Axis Rotation.
 -phiMin      [-360.0]  Minimum Z-Axis Rotation.
Extraction of Da, Dr Etc (for -svd and -saupe):
 -euler             Solve for Euler Angles, Da, Dr.
 -noeuler           Don't Solve for Euler Angles.