get_nbins

gmx.get_nbins(fname, binwidth)[source]

Get the number of bins.

Determine the number of bins to use to divide the z dimension of the simulation box stored in the provided .gro file in bins of the given bin width.

Parameters

  • fname (str) – Name of the .gro file that holds the box dimensions.

  • binwidth (float) – The desired bin width.

Returns

num_bins (int) – The number of bins required to divide the simulation box in bins of the given width.