FAUNUS is an object oriented class library for molecular simulation, written in C++. It contains routines and utility programs for, Metropolis Monte Carlo sampling (NVT, NPT, NmuT ensembles), Macromolecules, Proton Titration, Widom Analysis etc.

Features

  • NVT, NpT, NmuT Ensembles
  • Multiscale modelling of proteins
  • Molecular Monte Carlo Simulation of Proteins
  • Proton Titration of Proteins (constant pH simulations)
  • Highly Object Oriented Design

Project Samples

Free energy of interaction between macro-molecules Lysozyme mass center distribution outside a fab fragment

Project Activity

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Categories

Molecular Science, Simulation, Chemistry

License

GNU General Public License version 2.0 (GPLv2)

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Additional Project Details

Operating Systems

Linux, BSD, Mac

Intended Audience

Science/Research, Advanced End Users, Developers

User Interface

Command-line

Programming Language

Python, C++

Related Categories

Python Molecular Science Software, Python Simulation Software, Python Chemistry Software, C++ Molecular Science Software, C++ Simulation Software, C++ Chemistry Software

Registered

2007-05-14
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