Computing diffusion coefficients in macromolecular simulations: the Diffusion Coefficient Tool for VMD

Tcl Submitted 28 August 2019Published 19 September 2019
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Editor: @labarba (all papers)
Reviewers: @jrperilla (all reviews), @HaoZeke (all reviews)

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Toni Giorgino (0000-0001-6449-0596)

Citation

Giorgino, (2019). Computing diffusion coefficients in macromolecular simulations: the Diffusion Coefficient Tool for VMD. Journal of Open Source Software, 4(41), 1698, https://doi.org/10.21105/joss.01698

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VMD diffusion coefficient molecular dynamics trajectory

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ISSN 2475-9066