Print minima object summary

`summary.minima` prints summary for free energy minima (identifier, values of bins and collective variables, free energy and equilibrium populations).

# S3 method for minima
summary(object, temp = 300, eunit = "kJ/mol", ...)

Arguments

object

minima object

temp

temperature in Kelvins

eunit

energy units (kJ/mol or kcal/mol, kJ/mol is default)

...

further arguments passed to or from other methods.

Examples

tfes<-fes(acealanme, imax=5000)
minima<-fesminima(tfes)
summary(minima)
#>   letter CV1bin CV2bin        CV1        CV2 free_energy relative_pop
#> 1      A     79    235 -1.2196771  2.6241539   -58.22765  13762623322
#> 2      B     28    242 -2.4763142  2.7966335   -55.37985   4393755672
#> 3      C     70    121 -1.4414366 -0.1847996   -54.65751   3288982940
#> 4      D    166    153  0.9239978  0.6036786   -54.17444   2709867235
#> 5      E     30    134 -2.4270343  0.1355197   -52.74630   1528542603
#> 6      F    172    249  1.0718375  2.9691131   -46.45687    122786937
#>          pop
#> 1 53.3299441
#> 2 17.0257326
#> 3 12.7447560
#> 4 10.5006920
#> 5  5.9230780
#> 6  0.4757974