bond 0.32 0.52 0.005 bond.dist.tgt 1 0 0 0 acc_convergence table_b1.xvg angle 1.08 3.12 0.02 angle.dist.tgt 0 1 0 0 acc_convergence table_a1.xvg dihedral -3.11 3.11 0.05 dihedral.dist.tgt 0 0 1 0 smooth 1 acc_convergence table_d1.xvg B-B B B 0 2.5 0.01 B-B.dist.tgt 0 0 0 1 acc_convergence table_B_B.xvg 3.267602 gromacs 100 0.01 1000000 3.5 grompp.mdp topol.top table.xvg index.ndx 30 default 0.001 ibi inverse.log restart_points.log