FIRSTSTEP 0 NUMSTEPS 10 TEMPERATURE 0 seed 1234 CELLMANAGER cubic CELLSIZE 3.3333334 BOUNDARYCONDITIONS normal cellBasisVector1 108.8612 0.0 0.0 cellBasisVector2 0.0 108.8612 0.0 cellBasisVector3 0.0 0.0 77.758 cellOrigin 0.0 0.0 0.0 PARFILE apoa1.par POSFILE apoa1.pdb PSFFILE apoa1.psf OUTPUTFREQ 10 Integrator { level 0 Leapfrog { timestep 1 force Improper force Dihedral force Bond force Angle force LennardJones Coulomb -switchingFunction C2 -switchingFunction Shift -algorithm NonbondedCutoff -cutoff 10.0 -switchon 0.1 } }