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
License
GNU General Public License version 2.0 (GPLv2)Follow FAUNUS: A Molecular Simulation Framework
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