Difference between revisions of "2023 AMBER tutorial 2 with PDBID 3WZE"

From Rizzo_Lab
Jump to: navigation, search
Line 11: Line 11:
  
  
==="Receptor"===
+
==='''Receptor'''===
  
  
==="Ligand"===
+
==='''Ligand'''===
  
  

Revision as of 12:37, 26 March 2023

Introduction

Directory Setup

3WZE Structures

Receptor

Ligand

Amber Simulation Parameters

Tleap

Equilibration

Production

MD Analysis

RMSD

Hydrogen Bonding

MM-GBSA