WHAM

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Bumps [rayon](https://github.com/rayon-rs/rayon) from 1.8.1 to 1.10.0. Changelog Sourced from rayon's changelog. Release rayon 1.10.0 (2024-03-23) The new methods ParallelSlice::par_chunk_by and ParallelSliceMut::par_chunk_by_mut work like the slice methods chunk_by and chunk_by_mut added...

dependabot[bot]

Regarding citation

1

Hello, I used your code extensively and wanted to cite it in my paper. Could you please help me do that? Since there is no publication, according to the soft...

interactyuvraj

Influence of the binning

3

   Dear Daniel, Thank you for implementing the WHAM; I found it very convenient. However, I have an issue with the influence of binning on the shape of...

burunduk57

Make units of force constant configurable

2

What are the units of the force constant? From reading the src I cannot tell if this should be in kcal/mol or kT units etc. It would be nice if...

tgmaxson

Regarding PMF calculation with error bar (bootsrapping)

5

Hope you are fine and doing well. I have performed an umbrella sampling simulation using the center of mass distance (dz) between membrane and peptide. I have pulled the peptide...

SoumyaCYZ