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
License
GNU General Public License version 3.0 (GPLv3)Follow Iphigenie
Other Useful Business Software
MongoDB Atlas runs apps anywhere
MongoDB Atlas gives you the freedom to build and run modern applications anywhere—across AWS, Azure, and Google Cloud. With global availability in over 115 regions, Atlas lets you deploy close to your users, meet compliance needs, and scale with confidence across any geography.