U.S. flag

An official website of the United States government
  next up previous contents index  Xplor-NIH home Documentation

Next: Example: Run a Molecular Up: Cartesian Coordinate Space Previous: Requirements


Example: Run a Standard Molecular Dynamics Simulation 

dynamics verlet
   nstep=1000
   timestep=0.001
   iasvel=maxwell 
   firsttemperature=300
   nprint=25
end


Xplor-NIH 2024-09-13