Iphigenie

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

See All Activity >

License

GNU General Public License version 3.0 (GPLv3)

Follow Iphigenie

Iphigenie Web Site

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Additional Project Details

Operating Systems

BSD, Linux

Intended Audience

Science/Research

User Interface

Console/Terminal

Programming Language

Related Categories

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

Registered

2014-06-02

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