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Author Topic: How to Resolve reservoir temperature Showing 0K in NVT NoserhooverMD Simulation?  (Read 585 times)

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Offline pshinyeong

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How to Resolve reservoir temperature Showing 0K in NVT NoserhooverMD Simulation?
« on: January 19, 2025, 08:53 »
Hello,

I am using the constant-density melt-quench template to create an amorphous structure. However, starting from the second MD step (NVT Nose-Hoover), the reservoir temperature is fixed at 0 K, even though I set it to range from 3000 K to 1100 K.

Is this an error in the setup, or could it be a problem with the Nose-Hoover thermostat configuration?

Thank you for your help!
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Offline Anders Blom

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Re: How to Resolve reservoir temperature Showing 0K in NVT NoserhooverMD Simulation?
« Reply #1 on: January 28, 2025, 01:49 »
Can you share the output so we check on that?
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