firststep 0
numsteps 10

seed 1234

posfile bpti.pdb
psffile bpti.psf
parfile bpti.par
temperature 0

outputfreq 10
#allenergiesfile bpti.out.energy

boundaryConditions Normal
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
  }
}
