Difference between revisions of "2015 AMBER tutorial with PARP"
From Rizzo_Lab
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====Antechamber, Parmchk, tLeap==== | ====Antechamber, Parmchk, tLeap==== | ||
| − | ==III. Simulation using | + | ==III. Simulation using pmemd== |
=== Minimization === | === Minimization === | ||
=== Production === | === Production === | ||
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==IV. Simulation Analysis== | ==IV. Simulation Analysis== | ||
Revision as of 14:22, 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).
