Author Topic: MD Final configuration is different from the last image of trajectory movie  (Read 692 times)

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Offline pshinyeong

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Hello all,

I tried MD simulation using the constant pressure Melt Quench template in the workflow on GeTe configuration.
The movie for trajectory looks fine but the final configuration of MD looks different from the final image shown in the movie and it is way off. Does anyone know what is causing this?

I used QuantumATK_MTP_GST_2022_12 (Ge, Sb, Te) as the forcefield

Thanks
« Last Edit: January 19, 2024, 07:20 by pshinyeong »

Offline AsifShah

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Hi,

Check tick on wrap atoms.

Offline pshinyeong

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