This workshop introduces the application of MDTraj to the analysis of protein simulation data
It is in two parts:
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INTRODUCTION An introduction to the use of MDTraj for the analysis of simulations. The data comes from the associated 'protein simulation with amber and openmm' workshop.
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EQUILIBRATION An introduction to a key issue in MD simulation: testing for equilibration, sampling, and convergence. The data here comes from a long simulation of a different protein, chignolin.