# water tetramer run_type opt terms elec pol disp xr max_steps 100 coord points fraglib_path ../fraglib fragment h2o_l -6.6939 -0.7053 0.2031 -7.5290 -0.1798 0.2855 -6.9161 -1.6539 0.0273 fragment h2o_l -3.0446 1.4217 0.1994 -3.8439 0.8389 0.2372 -3.3220 2.3687 0.2792 fragment h2o_l -1.9443 -2.0764 0.1287 -0.9588 -1.9865 0.1596 -2.3592 -1.3491 0.6570 fragment h2o_l -5.5235 -4.1554 0.2711 -5.4795 -4.8791 -0.4031 -4.6654 -3.6617 0.2824