Difference between revisions of "2015 AMBER tutorial with PARP"
From Rizzo_Lab
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==III. Simulation using pmemd== | ==III. Simulation using pmemd== | ||
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==IV. Simulation Analysis== | ==IV. Simulation Analysis== | ||
Revision as of 14:24, 1 April 2015
For additional Rizzo Lab tutorials see AMBER Tutorials.
In this tutorial, we will learn how to run a molecular dynamics simulation of a protein-ligand complex. We will then post-process that simulation by calculating structural fluctuations (with RMSD) and free energies of binding (MM-GBSA).
