# protocol params numsteps 400 timestep 0.5 stepspercycle 1 # initial config coordinates molec.coor velocities molec.vel structure molec.psf parameters molec.par seed 12345 # output params outputname molec binaryoutput no # force field params exclude scaled1-4 1-4scaling 1.0 switching on switchdist 8.0 cutoff 12.0 pairlistdist 13.5 margin 0.0 # restart params restartname restart restartfreq 10 restartsave yes