NMRWish Command List dynDynamics Initiate or Continue Dynamics Steps

Command-Line Argument List

-help: Initiate or Continue Dynamics.
 -src         pdbSrc         Source of Structure.
 -init                       Initialize Dynamics.
 -temp        temp   [500]   Dynamics Temperature.
 -cr          rate   [0.001] Collision Rate.
 -timeStep    step   [1]     Time Step.
 -stepCount   count  [100]   Number of Time Steps.
 -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.
 -angle       eSrc           Angles.
 -torsion     eSrc           User Torsion Angles.
 -improper    eSrc           Improper Torsions.
 -vdwfc       vdwFC   [1.0]  VDW Force Constant.
 -vdw         vdwSize [1.0]  VDW Size Scale.