temperature 300.0 
firststep 0

numsteps 100

cellsize 6.5

outputfreq 1

seed 1234

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

usecharmm28parfile no

allenergiesfile shmc.std.pb.energies

boundaryConditions periodic

cellManager Cubic

Integrator {

    level 0 ShadowHMC {

        temperature 300

        cyclelength 20

        timestep 1

        order 8

        force Improper 
        force Dihedral 
        force Bond 
        force Angle 

        force LennardJones
            -algorithm NonbondedCutoff
            -switchingFunction C2
	    -switchon 0.1
            -cutoff 6.5

        force Coulomb
            -algorithm NonbondedCutoff
            -switchingFunction C1
            -cutoff 6.5

    }
}

