Difference between revisions of "2015 AMBER tutorial with PARP"
From Rizzo_Lab
(Created page with " 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 ...") |
(→Checking Output Files) |
||
| Line 26: | Line 26: | ||
==IV. Simulation Analysis== | ==IV. Simulation Analysis== | ||
| − | |||
| − | |||
===Ptraj=== | ===Ptraj=== | ||
Revision as of 15:20, 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).
