Outline

Latest revision as of 11:06, 20 July 2010

I. Title Page / Introduction

II. Basic CHARMM Scripting

III. Essential CHARMM Features

IV. The Energy Function

V. Minimization

VI. Solvation

VII. Neutralization

VIII. MD

IX. LD

X. Analysis

XI. Full example

Appendix A. Installation of CHARMM

Appendix B. CHARMMing's PDB Reader

Appendic C. Installation of CHARMMing