FAUNUS: A Molecular Simulation Framework download

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

See All Activity >

License

GNU General Public License version 2.0 (GPLv2)

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Additional Project Details

Operating Systems

BSD, Linux, Mac

Intended Audience

Advanced End Users, Developers, Science/Research

User Interface

Command-line

Programming Language

C++, Python

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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