REPORT

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Revision as of 17:17, 26 April 2022 by Karsai (talk | contribs)

The output file REPORT contains information about the MD run such as list of parameters used in the simulation, the values of controlled geometric parameters, number of collision with the heat-bath (Andersen thermostat), quantities needed to compute the free-energy gradient, etc.

Related Tags and Sections

MDALGO