structure     = lyso.pdb
# sites_A       = all
# sites_B       = 1N, 1, 2, 3C
sites = all
epsin         = 10
ionicstr      = 0.1
pbc_dimensions= 2
ncpus         = 2
output        = pKas.out

convergence = 3
bndcon = 1

pH = 7
pHstep = 0.3

structure_output = structure.pdb, 7, amber

lipid_definition = cholesterol:CHL
lipid_definition = POPC:POP
