integrator = steep nsteps = 5000 nstxout = 50 cutoff-scheme = Verlet nstlist = 10 ns_type = grid vdw-type = Cut-off rvdw = 1.0 coulombtype = pme fourierspacing = 0.1 pme-order = 4 rcoulomb = 1.0 constraint-algorithm = lincs constraints = hbonds pull = yes pull-nstxout = 1 pull-ncoords = 1 pull-ngroups = 2 pull-group1-name = ethanol_pull pull-group2-name = water pull-coord1-type = umbrella pull-coord1-geometry = distance pull-coord1-dim = Y N N pull-coord1-groups = 1 2 pull-coord1-start = no pull-coord1-init = 2 pull-coord1-rate = 0.0 pull-coord1-k = 10000