prob {metadynminer}

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))