nmoves = 10000
ncycles = 25
buffered coordinates frequency = 500
save coordinates = True
timestep = 2*femtosecond
constraint = hbonds
cutoff type = nocutoff
barostat = False
andersen = True
energy frequency = 100
precision = mixed
minimise = False
equilibrate = False
center solute = True
lambda array = 0.00, 0.1, 0.2, 0.3, 0.4, 0.5, 0.5, 0.6, 0.7, 0.8, 0.9, 1