Simple Dynamics Lesson, Introduction
In the lesson on simple dynamics with equilibration
and data collection stages, you will perform a simple dynamics
simulation on the optimized
structure from the previous lesson, using the constant-volume/constant-temperature
ensemble. Then you will animate the dynamics trajectories and plot
energy averages and temperatures.
The main topics covered in this lesson include:
Additional topics include:
Simple Dynamics Lesson, Instructions
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Simple Dynamics Lesson, Introduction