2.3. STATS#
2.3.1. MD Statistics#
The STATS module performs statistical analysis of simulated properties, through a unified interface for the ORCA and GROMACS programs. It can be used from the command:
stats ⟨simbox.ext⟩ [⟨-options⟩]
where ext is one of the extensions recognized by Solvate Suite (out [ORCA], or log [GROMACS]), and “-options” a set of the configurations for the simulation execution.
Note
Simply type stats in the terminal and press enter to see the full list of execution options for the module.
2.3.2. Execution Options#
stats ⟨datafile.dat⟩ [⟨-options⟩]
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-cpt : Read a generated dat file in compact format. [-cp]
-for : Force new property data extraction. [-fm]
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2.3.3. Quickstart Examples#
Under construction…