firststep 0
numsteps 10

seed 1234

posfile examples/bpti_water_14281/bpti.pdb
psffile examples/bpti_water_14281/bpti.psf
parfile examples/bpti_water_14281/bpti.par
temperature 0
usecharmm28parfile no
#outputfreq 10
#allenergiesfile bpti.out.energy

boundaryConditions Vacuum
cellBasisVector1     63.0 0.0 0.0
cellBasisVector2     0.0 50.0 0.0
cellBasisVector3     0.0 0.0 50.0
cellOrigin           0.0 0.0 0.0

cellManager Cubic
cellsize 5

#Integrator {
#  level 0 Leapfrog {
#        timestep 1
#    force Improper 
#    force Dihedral 
#    force Bond 
#    force Angle 
#    force LennardJones  
#	-switchingFunction C2 
#	-algorithm NonbondedCutoff
#	-switchon 0.1
#        -cutoff 10.0
#    force compare time Coulomb -algorithm MultiGrid -interpolation Hermite -kernel C3
#            -levels 2
#            -s 10
#            -order 6
#            -ratio 2
#            -h 3 3 3
#            -origin 0 0 0
#    force compare time Coulomb -algorithm NonbondedSimpleFull
#  }
#}