System is Cl  +  O3
Enter the time step, # of steps, # of steps between prints, # of trajectories
0.01d0,   400000,    500,   500
Enter the energy of frag a, energy of frag b, relative trans energy (in au)
0.035d0,0.d0,0.036d0
Enter the allowed relative error in the energy conservation of traj.
1.d-6
Enter the maximum impact parameter, initial fragment separation (in au)
2.0d0,13d0
Enter 1 or 2 for one or two part weight function
2
Enter the weight powers q and p
2, 12
Enter the weight cutoffs for the inner and outer neighbour lists
1.d-5   1.d-4
Enter the # of time steps for updates of the outer and inner neighbour lists
10 5
Enter the fraction of trajectory points output
1.d0
Enter the number of new data points chosen per iteration
1
Enter the maximum acceptable energy from POT, and expected minimum energy
-684.52      -0.025d0 
Do we stop trajectories with low energy? 0=no, 1=yes
0
Enter how many neighbours are used to define the confidence radius
48
Enter the energy error tolerance which defines the confidence radius
1.d-6
