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NIH: National Institute of Diabetes and Digestive and Kidney Diseases NIH: National Institute of Diabetes and Digestive and Kidney Diseases

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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



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