The molecular mechanics (MM) program Iphigenie provides a broad range of molecular dynamics (MD) methods and technologies, including polarizable force fields (PMM), the HADES reaction field, and QM/(P)MM hybrid simulations.

Features

  • structure adapted fast multipole method SAMM
  • HADES reactionfield
  • QM/MM simulations with polarizable force fields (DFT/PMM interface to CPMD <http://www.cpmd.org>)
  • Generalized ensemble methods: temperature and Hamiltonian replica exchange MD
  • simulated tempering and solute tempering
  • native support for the `plugin metadynamics` PLUMED <http://www.plumed-code.org>)
  • support for Gaussian distributed charges and dipoles
  • four, five and six-point polarizable water models
  • job farming
  • xml input

Project Activity

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Categories

Molecular Science, Chemistry, Molecular Mechanics

License

GNU General Public License version 3.0 (GPLv3)

Follow Iphigenie

Iphigenie Web Site

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Additional Project Details

Operating Systems

Linux, BSD

Intended Audience

Science/Research

User Interface

Console/Terminal

Programming Language

C

Related Categories

C Molecular Science Software, C Chemistry Software, C Molecular Mechanics Software

Registered

2014-06-02
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