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MacTempas User Manual Apple-Command Key together with the Period. Optionally, a log file can be written so that the “energy” as a function of time/ temperature can be plotted and also a Movie can be produced and played back. The number of frames/second for output can be set. At the end of the run, the dialog box can be just dismissed and the final configuration of parameters will be discarded, or the parameters can be saved in the form of a new structure/simulation file. Refine Structure The structure refinement works in the same way as the parameter refinement. However, in this case it is the structure that is being varied, notably the coordinates of selected atoms and possibly debye-waller factors and occupancy. After invoking the Ch. 6 Menus - p.106
