Difference between revisions of "2023 AMBER tutorial 3 with PDBID 2P16"
From Rizzo_Lab
Stonybrook (talk | contribs) (Created page with "== '''Introduction''' == == '''Preparing the Structure''' == == '''Simulation Parameters''' == == '''TLeap''' == == '''Equilibration''' == == '''Production...") |
Stonybrook (talk | contribs) (→Introduction) |
||
| Line 1: | Line 1: | ||
| − | == '''Introduction''' == | + | == '''Introduction''' == |
| − | + | Howdy! If you've gotten this far with your MD project, you've now moved out of the realm of DOCK6 and into the world of molecular dynamics (MD). This tutorial will cover how to use the AMBER 16 software package to simulate your protein-ligand complex on a sub-microsecond timeframe and use the resulting data to calculate binding energies. | |
| − | |||
== '''Preparing the Structure''' == | == '''Preparing the Structure''' == | ||
Revision as of 14:13, 26 April 2023
Contents
Introduction
Howdy! If you've gotten this far with your MD project, you've now moved out of the realm of DOCK6 and into the world of molecular dynamics (MD). This tutorial will cover how to use the AMBER 16 software package to simulate your protein-ligand complex on a sub-microsecond timeframe and use the resulting data to calculate binding energies.
