firststep 0

numsteps 10

cellsize 10

outputfreq 10
restartfreq 1000      
temperature 0
seed 1234

#posfile bpti.pdb
#psffile bpti.psf
#parfile bpti.par

allenergiesfile lf.Ewald.pb.energies

boundaryConditions periodic
#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

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 time Coulomb 
          -algorithm FullEwald -correction -real -reciprocal
          -accuracy 1e-18
  }
}
