MDynaMixとは 意味・読み方・使い方

MDynaMix (an acronym for Molecular Dynamics of Mixtures) is a general purpose molecular dynamics software package for simulations mixtures of molecules, interacting by AMBER/CHARMM like force fields in a periodic boundary conditions. MDynaMix is developed at the Stockholm University, Sweden. Algorithms for NVE, NVT, NPT and anisotropic NPT ensembles are employed, as well as Ewald summation for treatment of the electrostatic interactions. The code was written in Fortran 77 (with MPI for parallel execution) and C++ and released under the GNU GPL. Package works on Unix/Linux workstations and clusters of workstations as well as on Windows in sequential mode.