; Steepest Descents in vacuo ; User kerrigan (236) ; ; Input file ; constraints = none integrator = steep nsteps = 400 ; ;Energy minimizing stuff ; emtol = 1000 emstep = 0.01 nstcomm = 1 ns_type = grid morse = no coulombtype = Shift vdw_type = Shift rlist = 1.4 rcoulomb = 1.2 rvdw = 1.2 rcoulomb_switch = 1.0 rvdw_switch = 1.0 Tcoupl = no Pcoupl = no gen_vel = no