define = -DFLEXIBLE integrator = md tinit = 0.0 dt = 0.001 nsteps = 0 nstxout = 1 nstvout = 0 nstfout = 1 nstlog = 0 nstenergy = 1 pbc = xyz rlist = 1.0 coulombtype = PME rcoulomb = 1.0 fourierspacing = 0.07 ewald_rtol = 1e-6 vdwtype = cut-off rvdw = 1.0 constraints = none