furanku

NMRWish Command List

dynEnergy

Calculate a Dynamics Energy Term



Command-Line Argument List

-help: Calculate Energy.
 -src         pdbSrc      Source of Structure.
 -dc          eSrc        Dipolar Couplings.
 -cs          eSrc        Chemical Shifts.
 -j           eSrc        J-Couplings.
 -dist        eSrc        Generic Distances.
 -noe         eSrc        NOE Distances.
 -bond        eSrc        Atomic Bonds.
 -hbond       eSrc        Hydrogen Bonds.
 -disulfide   eSrc        Disulfide Bonds.
 -angle       eSrc        Angles.
 -torsion     eSrc        Torsion Angles.
 -improper    eSrc        Torsion Angles.