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Force Field X is a group of open source (GPL v. 3), platform independent (Java Runtime Environment) modules for molecular biophysics. Key methods include: 1) Polarizable AMOEBA force fields 2) Particle-mesh Ewald electrostatics 3) Generalized Kirkwood continuum electrostatics ... [More]
SireMolecular modelling package in early developmental stageSire has been in development for 4 years, and has had a small technology preview release. An alpha version of the code was used to run the QM/MM Monte Carlo simulations that are published in the Journal of Chemical Physics ... [More]