bjmorgan / kinisi

A Python package for estimating diffusion properties from molecular dynamics simulations.
https://kinisi.readthedocs.io
MIT License
49 stars 11 forks source link

Move to non-overlapping samples #17

Closed arm61 closed 1 year ago

arm61 commented 1 year ago

Changing to using non-overlapping samples for the determination of the MSD, this is more statistically sound.