temperature 20.0 firststep 0 numsteps 350000 cellsize 6.09 outputfreq 70 seed 1234 posfile two.pos.xyz psffile two.psf parfile two.par ALLENERGIESFILE two.out.energies cellBasisVector1 286.09 0.0 0.0 cellBasisVector2 0.0 143.045 0.0 cellBasisVector3 0.0 0.0 143.045 cellorigin 143.045 71.523 71.523 boundaryConditions Periodic #boundaryConditions Normal cellManager Cubic Integrator { level 0 Leapfrog { timestep 2.49 force Bond, Angle force LennardJones -algorithm NonbondedCutoff -switchingFunction C2 -cutoff 6.09 -switchon 4.354 } }