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@simongravelle simongravelle commented Dec 29, 2024

To fix #51, I propose here to use the minimize command + shake with kbond. The original motivation for using fix limit/nve + small timstep + thermostat with 1K was to show the user an alternative to the minimize command, but I probably choose the worse of the 8 tutorial to do that.

@simongravelle simongravelle merged commit 33c08ba into main Dec 30, 2024
@simongravelle simongravelle deleted the adress-warning-tutorial4 branch December 30, 2024 10:23
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Tutorial 4: Should not use fix nve/limit with fix shake

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