metadynminer (version 0.1.7)

prob: 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

# NOT RUN {
tfes<-fes(acealanme, imax=5000)
print(prob(tfes))
# }