====== Harness Scripts ======

In general, the harness script is called by the FRESHS client with **command line arguments**, which are constructed by the client from the server message and can contain user-defined elements (see the configuration files for more details). For calculating trajectory fragments, the harness script should include the following elements:
  * A parser for the command line arguments
  * An ''equilibration/initial_config'' routine to set up the system
  * A ''save_snapshot'' routine for saving the complete system state
  * A ''load_snapshot'' routine for loading a full system snapshot
  * A ''calculate_rc'' routine for calculating the reaction coordinate


===== GROMACS =====

[[freshs:harness-gromacs|Here]] is an example for a GROMACS harness script using FFS, written in BASH.
The additional files can be downloaded [[freshs:additional-files-gromacs|here]].
===== ESPResSo =====

[[freshs:harness-espresso|Here]] is an example for an ESPResSo harness script using FFS, written in TCL.
===== LAMMPS =====

[[freshs:harness-lammps|Here]] is an example for a FFS LAMMPS harness script using the pythonlib of LAMMPS. This script can analogously be converted to a compiled C++ simulation script, if LAMMPS is not used as python library.