4. Management#
FILE MANAGEMENT
In the fourth stage (and final), after all the steps of the computational experiment have been executed, it is possible to manage the significant volume of files from a single command. The FILES module can perform file management, archiving or unarchiving the files handled throughout the simulation and calculation of the electronic structure. Management is performed using the following command structure:
solvate ⟨solute.trj.xyz⟩ -files [⟨-options⟩]
Note
The list of options can be seen from the applications menu, which is accessible from the command line by typing the module name, without any other parameters.