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Discover and Forcite Training

This course is available on-site as a 0.5 day course.

On completion of the workshop the user will have covered:

  • Concept of Molecular Modeling
  • Forcefields (first order second order, rule-based)
  • Non-bonded interactions
  • Cut-offs (atom based, group based, Ewald)
  • Minimisation algorithm
  • Molecular dynamics
  • Ensembles
  • How to analyse trajectories
  • How to interpret the results

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