temperature 300.0 
firststep 0

numsteps 200

cellsize 6.5

outputfreq 10
restartfreq 1000      
seed 1234

posfile equil298K_01.pos.pdb
velfile equil298K_01.vel.pdb 

psffile equil298K_01.psf
parfile equil298K_01.par

finXYZPOSFILE      equil298K_01.out.fin.pos.xyz
finXYZVELFILE     equil298K_01.out.fin.vel.xyz
DCDFILE               equil298K_01.out.trajectory.pos.dcd
ALLENERGIESFILE       equil298K_01.out.energies
BSDLFILE         equil298K_01.out.fin.bsdl
RESTARTFILE           equil298K_01.out.restart
doRestartFile no

usecharmm28parfile no

cellBasisVector1     28.0 0.0 0.0
cellBasisVector2     0.0 28.0 0.0
cellBasisVector3     0.0 0.0 28.0
cellorigin           0.0 0.0  0.0

boundaryConditions Periodic
cellManager Cubic

Integrator {


#  level 1 BSplineMOLLY {
#        cyclelength 3
#        BSplineType long
## defined types are short, long, longLinear and longQuadratic
#        BSplineMollyForceType Bond
## defined types are Bond, Angle, and Bond+Angle
#
#    force Coulomb
#          -algorithm NonbondedSimpleFull
#          -switchingFunction ComplementC1
#          -cutoff 6.5
#  }


  level 1 Impulse {
        cyclelength 5
    force Coulomb
          -algorithm NonbondedSimpleFull
          -switchingFunction ComplementC1
          -cutoff 6.5
  }

  level 0 PLeapfrog {
        timestep .5
    force Bond, Angle 
    force Coulomb
          -algorithm NonbondedCutoff
          -switchingFunction C1
          -cutoff 6.5
    force LennardJones
          -algorithm NonbondedCutoff    
          -switchingFunction C2
          -cutoff 6.5
          -switchon 0.1
  }

}