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I am currently simulating rigid bodies in an explicit solvent, with density =1.5. All interactions are via DPD. The issue is that there is always an overshoot of temperature compared to the set temperature. This overshoot also appears to worsen when I increase the number of the rigid bodies as well. For example, if you set kT=1, the equilibriated temperature settles at 1.15. I was wondering perhaps this is a bug or if there are any recourses. Thank you. |
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What version of HOOMD-blue are you running? Support for rigid bodies using a DPD thermostat was added in 5.2.0, though it has not yet been fully tested. |
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Hi, I was using Hoomd version 4.3. I have since updated to version 5.3.0 and now the thermostat appears to work as intended. The additional velocity calculations for constituent particles seems to have fixed the issue. Thank you |
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Hi,
I was using Hoomd version 4.3. I have since updated to version 5.3.0 and now the thermostat appears to work as intended. The additional velocity calculations for constituent particles seems to have fixed the issue.
Thank you