iAPBS Interface: Users's Guide

Robert Konecny

University of California San Diego
National Biomedical Computation Resource
Center for Theoretical Biological Physics

<rok@ucsd.edu>

Copyright © 2005-2008 UC Regents

The current release of the iAPBS module is 0.3.0. (PDF version)

Table of Contents

1. Introduction

1.1. iAPBS interface
1.2. Amber/iAPBS Module
1.3. CHARMM/iAPBS Module

2. Implementation of the iAPBS interface

3. Installing the iAPBS Interface

3.1. Requirements
3.2. Building iAPBS interface
3.3. Building of Amber/APBS module
3.4. Building of CHARMM/APBS module

4. Using the iAPBS Interface

4.1. Using Amber/APBS module
4.2. Using CHARMM/APBS module
4.3. Notes

5. Examples

5.1. Examples of using the Amber/APBS module
5.2. Examples of using the CHARMM/APBS module

List of Tables
4-1. APBS and Amber/APBS keywords
4-2. APBS and CHARMM/APBS keywords

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