Output files
An important requirement when running a simulation is that it can be analyzed afterwards, meaning that output files are written to disk. During the simulation coordinates and velocities of molecules are written to file at regular intervals (specified in the input options file by Crep).
Besides that the coordinates and velocities are saved for future analysis (see visualization), also the energies are written to file. Furthermore a description of the system that has just been simulated is saved. Depending on the settings also a file containing the Lennard-Jones energies split per interaction type or a file containing the macroscopic quantities along one coordinate can be present after the simulation has finished. And when steering is applied, even a file with per iteration work done on the system is produced.
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