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I use CMake 3.30.3 and Winlibs gcc-14.2.0-llvm-18.1.8-mingw-w64ucrt-12.0.0-r1 to compile the PenRed source code in Windows 11 Pro. The log shows there are datatype error. The details see the attached …
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Dear Developers,
I am encountering an issue while simulating DNA with implicit solvent using OpenMM. My system consists of two DNA strands and several Na ions. I have observed that the Na ions move…
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I see you got a headstart on the 2nd assignment! I think you are on the right track with the last couple of simulations. The idea that there are fewer ways to get more than the median that to stay und…
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Hello Everyone.
I tried setting up Temperature REMD simulations using two scripts. The first one is using ReplicaExchangeSampler
```
# Set up the temperature range for replicas
n_replicas = 20
mi…
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**Submitting author:** @martinraetz (Martin Rätz)
**Repository:** https://github.com/RWTH-EBC/AixWeather
**Branch with paper.md** (empty if default branch): 4-joss_paper
**Version:** v0.1.7
**Editor:*…
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Hi everyone,
For the last month I’ve been experiencing random, periodic freezes/crashes of my computer while running OpenMM. It can occur anywhere from 1 hour to 24 hours after initiating the simul…
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**Is your feature request related to a problem? Please describe.**
A lot of other simulation products support non-realtime simulation.
That is useful in scenarios like:
- complex, challenging mec…
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# Problem/Motivation
I have no idea why the communication between HA and Node Red is suddenly so slow, that it takes some times more then 3 seconds to execute a service call.
## Expected behavi…
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There may be issues when restarting a simulation with different adaptive criteria than the original simulation.
For example, consider a simulation with minimum and maximum refinement levels set to…
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Hi,
It appears this is not implemented. Are there plans to do so? Having to be connected to my whole system to test changes really slows down development.
I use the dummy_hardware feature in the…