DL_POLY

Overview

DL_POLY is a general-purpose molecular dynamics simulation package developed by Daresbury Laboratory. It is designed for simulating materials science and chemistry problems, with particular emphasis on condensed phase systems.

Features

• Support for various force fields
• Multiple simulation ensembles (NVE, NVT, NPT)
• Advanced sampling techniques
• Parallel computing capabilities
• Comprehensive analysis tools
• Support for polarizable force fields

System Requirements

Basic Requirements

• Linux/Unix operating system
• Fortran compiler (GCC 7.0+)
• 4GB RAM minimum
• 1GB disk space

Recommended

• 16GB+ RAM
• 10GB+ disk space
• Multi-core processor
• MPI library for parallel computing