alchemlyb.parsing.amber.rst

Amber parsing

alchemlyb.parsing.amber

The parsers featured in this module are constructed to properly parse Amber MD output files containing derivatives of the Hamiltonian and FEP (BAR/MBAR) data.

API Reference

This submodule includes these parsing functions:

alchemlyb.parsing.amber.extract_dHdl

alchemlyb.parsing.amber.extract_u_nk

alchemlyb.parsing.amber.extract