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Average configuration as restart-file

Started by ae213, August 22, 2019, 10:19:27 PM

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Hello Prof. Dubbeldam,

Is there a way to have a restart-file at the end of a simulation with average configurations? Or alternatively is there a way to save configurations each several cycles/steps as restart-files while the simulation is progressing?


David Dubbeldam

Saving of snapshots is more easily done by adding them to a movie. But you could run short simulations and copy the restart-file saved at the end to another directory if the goal is to create many restart-files.