integrator = md tinit = 0.0 dt = 0.001 nsteps = 0 nstxout = 0 nstvout = 0 nstfout = 1 nstlog = 0 nstenergy = 1 pbc = no rlist = 100 coulombtype = cut-off epsilon_r = 1 epsilon_rf = 78.3 rcoulomb = 100 vdwtype = cut-off rvdw = 100 constraints = none