tfep.utils.plumed

Wrapper and analysis for simulations ran with PLUMED.

Functions

check_plumed_is_installed()

Check that the plumed executable can be found and raise an error otherwise.

Modules

auxreader

An AuxReader for MDAnalysis capable of reading PLUMED-generated files.

io

Provide utility functions to read output files generated by PLUMED.

plot

Provide utility functions to read output files generated by PLUMED.

sumhills

Python wrapper for the plumed sum_hills program.