feprof: Calculate free energy profile for minima object (generic...

Description Usage Arguments

View source: R/minimaandpaths.R

Description

'feprof' calculates free energy profiles for free energy minima. It finds the global minimum at the 'imax' and calculates the evolution of free energies of a local vs. the global free energy minimum. The free energy of the global minimum is constant (zero).

Usage

1
feprof(minims, imax)

Arguments

minims

minima object.

imax

index of a hill from which summation stops (default the rest of hills).


metadynminer documentation built on Aug. 20, 2019, 5:24 p.m.