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**Describe the bug**
Hi, the following error is raised with somd-freenrg.py with Sire 2024.1.0. Do you know what I am doing wrong?
```
"/data/tmp/nigel.palmer/ceb3/conan/p/sireb703ab24f536d/p/b…
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Currently, if you want to calculate the MSD for a molecule, there is a lot of gymnastics involving `MDAnalysis` to get here. This could be greatly simplified for the user by allowing a centre of geome…
arm61 updated
7 months ago
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Hello,
I have been using Tinker to execute a molecular dynamics on a DNA molecule. When soaking the molecule into solvent, i obtain a .xyz file with the DNA outside of the box.
I am a bit lost r…
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# AllClo
### Unification, harmonizations and validations of high fidelity MoClo genetic assembly standard expansions
Our objective is to create a standard expansion unifying all the previous ones …
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This will have a `step` function. For improving upon type safety and documentation. It also allows for a space to expand the API in the future.
https://github.com/phetsims/ratio-and-proportion/issu…
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use real life measured coefficients from:
[Brockhaus, R. (2013): Flugregelung. Physikalische Grundlagen. Mathematisches Flugzeugmodell. Auslegungskriterien-Regelungsstrukturen. Entwurf von Flugregelu…
HHS81 updated
6 years ago
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Reply with your memo as a Comment. The memo should be responsive to this week's readings from David Archer, with 300–500 words + 1 visual element (e.g., figure, image, hand-drawn picture, art, etc. th…
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Context: As a biology student from Brazil, I'm not typically involved in programming but rather in using bioinformatics tools. I am seeking to learn how to conduct hybrid simulations with ligands/prot…
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I set a series of CA atoms in my protein to be inactive using the inactive parameter in my key file, but when I go to minimize the system, I get the following error:
```
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