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Running modes

All the analysis dialogs in nMOLDYN contains a frame called Actions located at the bottom of the dialog. That frame contains the buttons

- Cancel,
- Estimate,
- Save,
- Run,
- Save And Run.

The Cancel button cancel the analysis and close the dialog. The Estimate button performs just a single step of the analysis and pops up a message box with the estimated time for the full analysis. Not all the analysis can be estimated. In that case, the popped up message will inform you that the analysis is not estimable. The Save button pops up a dialogs from where you can save the analysis settings either to a nMOLDYN autostart file either to a nMOLDYN input file. The Run button runs the analysis directly from the GUI and finally the Save & and Run combinates the actions of Save and Run buttons.