(Note: These tutorials are meant to provide illustrative examples of how to use the AMBER software suite to carry out simulations that can be run on a simple workstation in a reasonable period of time. They do not necessarily provide the optimal choice of parameters or methods for the particular application area.)
Copyright Dwight Mcgee, Bill Miller III, and Jason Swails 2009

AMBER ADVANCED TUTORIALS
TUTORIAL 3

Python Script MMPBSA.py

Dwight McGee, Bill Miller III, & Jason Swails

AmberToolsに含まれているMM-PBSA法を結合自由エネルギー計算ために説明し、アラニンスキャンの実行、通常のモードでエントロピーを計算を行う。チュートリアルは以下の sectionに分かれる。:


CLICK HERE TO GO TO SECTION 3.1-py

CLICK HERE TO RETURN TO THE INTRODUCTION


(Note: These tutorials are meant to provide illustrative examples of how to use the AMBER software suite to carry out simulations that can be run on a simple workstation in a reasonable period of time. They do not necessarily provide the optimal choice of parameters or methods for the particular application area.)
Copyright Dwight McGee, Bill Miller III, and Jason Swails