Molecular dynamics simulation of water and diffusion coefficient measurement | GROMACS | MDAnalysis
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Molecular dynamics simulation of water and diffusion coefficient measurement | GROMACS | MDAnalysis
The script and instruction for the calculation of the diffusion coefficient can be found here: https://github.com/simongravelle *Video description* This video shows water molecule freely diffusing. The simulation is made using GROMACS and the rendering using VMD. The two different colours for the water molecule allow us to perceive the ...
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