Normal PC clusters, K supercomputer, and other regional supercomputers. Installation on Kobe FOCUS currently in progress (as of April 25, 2015). Refer to the following guides for installation instruction on various environments:
Nobuyuki Matsubayashi（Graduate School of Engineering Science, Osaka University）、Shun Sakuraba（Japan Atomic Energy Agency）
Solutions (including non-aqueous, ionic fluids, and supercritical fluids), lipid membranes, micelles, polymers, and QM/MM systems
|Physical quantities that can be computed||
Free energy; energy distribution function
Calculation and analysis of the free energy of solution systems and nanoscale heterogeneous weakly ordered systems using energy representation method
Parallel computing by MPI and OpenMP is supported (OpenMP parallel computing needs an option).
The application’s greatest appeal
Software for calculating the free energy of molecular aggregate systems. Combines molecular dynamics and the theory of solutions in the energy representation method, enabling rapid, high-precision calculation of the free energy of substances binding to molecular aggregates.