Synopsis

Histogram [-bhsV] file

Description

Evaluate the Orthogonal Space Histogram.

Options

-b, --bias

By default, the PMF is saved. This flag flips the sign to give the OST bias.

-h, --help

Print command help and exit.

-s, --save

Save the bias histogram to histogram.txt, the total PMF to pmf.txt, and 2D PMF to pmf.2D.txt

-V, --version

Print the Force Field X version and exit.

Arguments

file

XYZ or PDB input file.