define = -DPOSRES -DPOSRES_FC_BB=0.0 -DPOSRES_FC_SC=0.0 -DPOSRES_FC_LIPID=0.0 -DDIHRES -DDIHRES_FC=0.0 integrator = md dt = 0.002 nsteps = 100000000 ;200ns nstlog = 10000 nstxout = 5000000 nstvout = 5000000 nstfout = 5000000 nstenergy = 50000 nstxtcout = 25000 ld-seed = 2 ; cutoff-scheme = Verlet nstlist = 20 rlist = 1.2 coulombtype = pme rcoulomb = 1.2 vdwtype = Cut-off vdw-modifier = Force-switch rvdw_switch = 1.0 rvdw = 1.2 ; tcoupl = Nose-Hoover tc_grps = SYSTEM tau_t = 1.0 ref_t = 310 ; ;pcoupl = Parrinello-Rahman ;pcoupltype = semiisotropic ;tau_p = 5.0 ;compressibility = 4.5e-5 4.5e-5 ;ref_p = 1.0 1.0 ; constraints = h-bonds constraint_algorithm = LINCS continuation = yes ; nstcomm = 100 comm_mode = linear comm_grps = SYSTEM ; refcoord_scaling = all