Trajectory Files

At each analysis step, EGO creates a new trajectory file in the output directory. The trajectory files are named `n.ego' starting from some number `n' (eight digits, with leading zeroes) and increasing in sequence. A trajectory file starts with two REMARK lines and the contents of the control file followed by the line `[BEGINCOORD]'. The next line contains four numbers (number of atoms, integration step, step of analysis output, integration time step in fs) which are separated by white space. These data may be relevant for utility programs to analyze or convert the following atom positions (x, y, z coordinates in Å). Following the list of atom coordinates is an energy output for each integration step up to the next analysis step. Energy data is signaled by the line `[BEGINENERGY]' followed by a line with two numbers specifying the number of comment lines and the number of rows of energy output. The second comment line informs about the meaning of the different columns. Note that in EGO data in one row are separated by white space (spaces or tabs), that is, data columns are not given by a fixed column position!