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Linux and Mac. By using a Linux emulator such as Cygwin, the application can run also on Windows.
Takeshi Ishikawa (Nagasaki University, Graduate School of Biomedical Sciences)
Proteins, nuclear acids, and sugar chains
|Physical quantities that can be computed||
Interaction energy, electron density, electrostatic potential, electric field, energy gradient
Fragment Molecular Orbital (FMO) method
MPI parallelization is supported. Efficient parallelization on a supercomputer at the Center for Computational Sciences has been checked.
Theoretical study of the prion protein based on the fragment molecular orbital method, T. Ishikawa, T. Ishikura, and K. Kuwata,