#
# Non-optimized LennardJones and Coulomb
#
firststep 0
numsteps 10

exclude scaled1-4

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 time LennardJones  
	-switchingFunction C2 
	-algorithm NonbondedCutoff
	-switchon 0.1
        -cutoff 10.0
    force time Coulomb 
        -algorithm MultiGrid 
        -interpolation Hermite 
        -kernel C3
        -levels 2
        -s 10
        -order 6
        -ratio 2
        -h 3 3 3
        -origin 0 0 0
  }
}