MDynaMix
http://dbpedia.org/resource/MDynaMix an entity of type: Thing
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.
rdf:langString
rdf:langString
MDynaMix
rdf:langString
Molecular Dynamics of Mixtures
rdf:langString
Molecular Dynamics of Mixtures
xsd:integer
20351675
xsd:integer
1017923038
rdf:langString
Aatto Laaksonen, Alexander Lyubartsev
rdf:langString
DNA simulation on MDynaMix
rdf:langString
Stockholm University, Department of Materials and Environmental Chemistry, Division of Physical Chemistry
rdf:langString
English
xsd:date
2019-01-15
xsd:double
5.3
rdf:langString
Fortran 77-90
rdf:langString
Image:MDynaMix-MGE.png
rdf:langString
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. MDynaMix is developed at the Division of Physical Chemistry, Department of Materials and Environmental Chemistry, Stockholm University, Sweden. It is released as open-source software under a GNU General Public License (GPL).
rdf:langString
Computer display showing temperature function on left, DNA molecule in center, and various menu items to right and below.
xsd:nonNegativeInteger
8057
xsd:date
2019-01-15
xsd:string
5.3.0