ACEMD

ACEMD is the next generation molecular dynamic simulation software:

• Quick to install and simple to use

• Robust and tested code with available technical support

• Specifically designed for high performance on GPUs (graphical processing units)

• Integrated with HTMD for system preparation, simulation, and analysis from Python

• Widely used for academic and industrial research (700+ citations in scientific literature)

Contents

• Capabilities
• Performance
• Release notes
• Installation
• Tutorial
• Manual
• NNP/MM simulations
• Pure NNP simulations
• PLUMED
• Python protocols
• Support
• ACEMD LICENSE
• Obtaining an ACEMD license