Search Results for "numerical analysis"
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Showing 2 open source projects for "numerical analysis"
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1
NaRIBaS
Unix-based preparation and analysis toolbox for molecular simulations
...The toolbox is to be understood as a scripting framework rather than a black-box software. Task specific input and preparation or analysis function, are easy expandable to meet the scientific characteristic of constant changing properties. Concepts for efficiently storing and analysing large files in conjunction with graphical visualization and numerical data processing are presented in a Manual. A documented script collection that allows reproducing all simulations and analysis results presented in the Doctoral thesis of the author. -
2
TrajLab
MATLAB based programs for trajectory simulations of molecules
...AMBER, GROMACS, NAMD, etc.), the MATLAB environment offers easy access to manipulating the codes, testing novel algorithms, non-standard force fields and performing all kinds of numerical experiments. To be used mainly in teaching!
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