title = ALADIP cpp = /usr/bin/cpp constraints = none integrator = md dt = 0.002 nsteps = 25000 nstcomm = 1 nstxout = 500 nstvout = 0 nstfout = 0 nstlist = 5 ns_type = grid rlist = 0.9 coulombtype = PME rcoulomb = 0.9 rvdw = 1.4 fourierspacing = 0.12 fourier_nx = 0 fourier_ny = 0 fourier_nz = 0 pme_order = 4 ewald_rtol = 1e-5 optimize_fft = yes ;berendsen teperature coupling is on Tcoupl = berendsen tau_t = 0.1 tc-grps = protein ref_t = 300 ; pressure coupling is off Pcoupl = no ;generate velocities is on at 300 K. gen_vel = yes gen_temp = 300.0 gen_seed = 173529