MDynaMix
Molecular Dynamics of Mixtures (MDynaMix) is a computer software package for general purpose molecular dynamics to simulate mixtures of molecules, interacting by AMBER- and CHARMM-like force fields in periodic boundary conditions.Algorithms are included for NVE, NVT, NPT, anisotropic NPT ensembles, and Ewald summation to treat electrostatic interactions.The code was written in a mix of Fortran 77 and 90 (with Message Passing Interface (MPI) for parallel execution). The package runs on Unix and Unix-like (Linux) workstations, clusters of workstations, and on Windows in sequential mode.
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MDynaMix
Molecular Dynamics of Mixtures (MDynaMix) is a computer software package for general purpose molecular dynamics to simulate mixtures of molecules, interacting by AMBER- and CHARMM-like force fields in periodic boundary conditions.Algorithms are included for NVE, NVT, NPT, anisotropic NPT ensembles, and Ewald summation to treat electrostatic interactions.The code was written in a mix of Fortran 77 and 90 (with Message Passing Interface (MPI) for parallel execution). The package runs on Unix and Unix-like (Linux) workstations, clusters of workstations, and on Windows in sequential mode.
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Molecular Dynamics of Mixtures ...... General Public License (GPL).
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latest release date
2019-01-15
latest release version
license
operating system
programming language
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20,351,675
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1,017,923,038
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author
Aatto Laaksonen, Alexander Lyubartsev
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caption
DNA simulation on MDynaMix
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developer
Stockholm University, Departme ...... Division of Physical Chemistry
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genre
language
English
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latest release date
2019-01-15
latest release version
license
name
Molecular Dynamics of Mixtures
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operating system
programming language
Fortran 77-90
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screenshot
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screenshot alt
Computer display showing tempe ...... menu items to right and below.
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Molecular Dynamics of Mixtures ...... on Windows in sequential mode.
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MDynaMix
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Molecular Dynamics of Mixtures
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