prob: Calculate probability of free energy surface

In spiwokv/metadynminer: Tools to Read, Analyze and Visualize Metadynamics HILLS Files from 'Plumed'

Calculate probability of free energy surface

Description

'prob' calculates probability from free energy in a fes object.

Usage

prob(inputfes, temp = 300, eunit = "kJ/mol")

Arguments

inputfes	fes object.
temp	temperature in Kelvins.
eunit	energy units (kJ/mol or kcal/mol, kJ/mol is default).

Examples

tfes<-fes(acealanme, imax=5000)
print(prob(tfes))

spiwokv/metadynminer documentation built on Dec. 3, 2023, 5:05 a.m.