integrator = md dt = 0.025 nsteps = 1200000 nstcomm = 100 comm-grps = nstxout = 10 nstvout = 0 nstfout = 0 nstlog = 10000 nstenergy = 100 nstxtcout = 1000 xtc_precision = 100 xtc-grps = energygrps = DPC W cutoff-scheme = Verlet nstlist = 20 ns_type = grid pbc = xyz verlet-buffer-tolerance = 0.005 coulombtype = reaction-field rcoulomb = 1.1 epsilon_r = 15 epsilon_rf = 0 vdw_type = cutoff rvdw = 1.1 tcoupl = v-rescale tc-grps = DPC W tau_t = 1.0 1.0 ref_t = 300 300 Pcoupl = berendsen Pcoupltype = isotropic tau_p = 6.0 compressibility = 4.5e-5 ref_p = 1.0 gen_vel = no constraints = none constraint_algorithm = Lincs continuation = yes lincs_order = 4 lincs_warnangle = 30