cellBasisVector1     84.384 0 0
cellBasisVector2     0 82.877 0
cellBasisVector3     0 0 85.875
cellOrigin           0       0       0

temperature          300
numSteps             1000
firstStep            0

cellManager          cubic
cellSize 3.0
exclude              1-4

boundaryConditions   periodic

parfile              examples/water40002/water40002.par
posfile              examples/water40002/water40002.pdb
psffile              examples/water40002/water40002.psf