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giorginolab / vmd_diffusion_coefficient

Computing Diffusion Coefficients in Macromolecular Simulations: The Diffusion Coefficient Tool for VMD
https://doi.org/10.21105/joss.01698
BSD 3-Clause "New" or "Revised" License
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VMD Diffusion Coefficient Tool

Toni Giorgino © 2011-2019

The Diffusion Coefficient Tool is an analysis plugin for VMD that computes one, two or three-dimensional MSD-based diffusion coefficients of a chosen molecular species.

Please find this software's documentation in the doc subdirectory.

status

Citation

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

License

This software is distributed subject to the BSD-3 licensing terms. Please refer to the accompanying LICENSE file.