alchemlyb.parsing.gmx

Parsers for extracting alchemical data from Gromacs output files.

Functions

extract_dHdl(xvg, T)	Return gradients dH/dl from a Hamiltonian differences XVG file.
extract_u_nk(xvg, T)	Return reduced potentials u_nk from a Hamiltonian differences XVG file.