Author Topic: Optimized geometry configuration is not visible  (Read 30213 times)

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Offline Nemthianhoi Zou

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Optimized geometry configuration is not visible
« on: April 28, 2025, 14:51 »
Hi everyone, I'm facing an error after running a Molecular Dynamics simulation that involves the following steps- Heating, quenching and geometry optimization. The simulation finishes successfully. However, when I try to open the optimized geometry in the Builder, the screen appears blank and no structure is visible. But i get to see the configuration in the data preview but if we try to open it in the viewer/Builder the blank screen without configuration is viewing. What could be the possible reasons for this behavior? How can I resolve or debug this issue?

Offline Anders Blom

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Re: Optimized geometry configuration is not visible
« Reply #1 on: April 29, 2025, 01:41 »
Hard to tell but maybe some atoms have run away during the course of the MD run, and now have very large coordinates. I guess the preview automatically wraps the structure, but you have to do that manually in the Builder.

Offline Nemthianhoi Zou

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Re: Optimized geometry configuration is not visible
« Reply #2 on: April 29, 2025, 12:51 »
Thank you!