./Stage_2/parameters.dat output for 779: Na2SO4-1m-NVT 1ns-ST2ns
Status: finishedbond_coeff 1 0.97 563.28 -1428.2 1902.1 # h* o* bond_coeff 2 1.5325 277.56 -433.25 2922.8 # o1S- s4o- angle_coeff 1 103.7 49.84 -11.6 -8 # h* o* h* angle_coeff 2 109.47 87.637 -98.528 174.89 # o1S- s4o- o1S- dihedral_coeff 1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 # xxx xxx xxx xxx improper_coeff 1 0 0 # * s_ * * angle_coeff 1 bb -9.5 0.97 0.97 # h* o* h* angle_coeff 2 bb 130.45 1.5325 1.5325 # o1S- s4o- o1S- angle_coeff 1 ba 22.35 22.35 0.97 0.97 # h* o* h* angle_coeff 2 ba 0.0 0.0 1.5325 1.5325 # o1S- s4o- o1S- dihedral_coeff 1 mbt 0.0000 0.0000 0.0000 0.0 # xxx xxx xxx xxx dihedral_coeff 1 ebt 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0 0.0 # xxx xxx xxx xxx dihedral_coeff 1 at 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0 0.0 # xxx xxx xxx xxx dihedral_coeff 1 aat 0.0000 0.0 0.0 # xxx xxx xxx xxx dihedral_coeff 1 bb13 0.0 0.0 0.0 # xxx xxx xxx xxx improper_coeff 1 aa 0.0 0.0 0.0 120.0 120.0 120.0 # * s_ * * pair_coeff 1 1 0 1.098 # hw - pair_coeff 2 2 0.3828 2.494 # Na+ - pair_coeff 3 3 0.148 3.7824 # o* - pair_coeff 4 4 0.1436 3.6173 # o1S- - pair_coeff 5 5 0.24 4.08 # s4o- -