temperature 300.0 
firststep 0

numsteps 100

cellsize 10.0


outputfreq 1
restartfreq 10      
seed 1234



posfile bpti.pdb
psffile bpti.psf
parfile bpti.par
usecharmm28parfile no

finpdbposfile bpti.out.pos.pdb
finpdbvelfile bpti.out.vel.pdb
#dcdfile bpti.out.dcd
allenergiesfile bpti.out.energy
restartfile bpti.out

boundaryConditions Normal
cellManager Cubic


Integrator {
  level 0 Leapfrog {
        timestep 1
    force Improper 
    force Dihedral 
    force Bond 
    force Angle 
    force Coulomb
          -algorithm NonbondedCutoff
          -switchingFunction C1
          -cutoff 10.0
    force LennardJones
          -algorithm NonbondedCutoff
          -switchingFunction C2
          -cutoff 10.0
	  -switchon 0.1
  }
}