### mandatory ###
structure       = 4lzt.pdb
epsin           = 10
ionicstr        = 0.1
pbc_dimensions  = 0
temp            = 310
grid_fill       = 0.8 # FUTURE VERSION
ncpus           = 4
pH              = 0, 15
sites_A         = all
#1N, 18, 35, 48, 66, 129C

### optional ###
pHstep = 0.5
convergence = 0.01
output = pKas.out
titration_output = protonation.out
