Difference between revisions of "2022 AMBER tutorial 1 with PDBID 6ME2"
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== '''Directory Setup''' == | == '''Directory Setup''' == | ||
| + | For this tutorial, it is recommended to define the following directories to stay organized: | ||
| + | |||
| + | mkdir 001_structure | ||
| + | mkdir 002_parameters | ||
| + | mkdir 003_leap | ||
| + | mkdir 004_equil | ||
| + | mkdir 005_production | ||
== '''6ME2 Structure Files''' == | == '''6ME2 Structure Files''' == | ||
Revision as of 22:07, 2 May 2022
Contents
Introduction
AMBER is a program designed for computing biomolecular simulations. In this tutorial, AMBER will be used to simulate the dynamics between the ligand and receptor of the 6ME2 PDB file.
Directory Setup
For this tutorial, it is recommended to define the following directories to stay organized:
mkdir 001_structure mkdir 002_parameters mkdir 003_leap mkdir 004_equil mkdir 005_production
