tdump

tdump [value]

Time interval between two printouts of actual structures to the trajectory file, in femtoseconds. This option is used for dynamic and calc_rate.

In both cases, the trajectories are printed to the file trajectory.xyz in the usual xyz format. If more than one bead is calculated (rpmd_beads) the coordinates of all beads are printed into one structures, leading to a trajectory with molecules of N*M atoms (N=number of atoms in the centroid, M=number of RPMD beads).