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We use Neuralynx in our lab, so all of our raw data files are in `.ncs` format. Do you have any functions that can convert `.ncs` to `.mda` file formats? I saw some functions in depreciated versions o…
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I'm trying to calculate ligand-aminoacid interaction from OpenMM simulation from pdb topology and xtc trajectory. Ligand structure is show below
![image](https://github.com/chemosim-lab/ProLIF/assets…
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One of the breaking changes with Python 3.13 is [dropping](https://docs.python.org/3.13/whatsnew/3.13.html#summary-release-highlights) `xdrlib` from the [Standard Python Library](https://docs.python.o…
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I have several questions about MDA and DML.
1. In DML, the `key point` is needed to calculate the loss. How to obtain the `key point` in the training? Does it comes from annotation information?
2.…
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### Expected behaviour
I expect to access the results of PMDA in the same way I would do with MDA.
### Actual behaviour
After https://github.com/MDAnalysis/mdanalysis/issues/3115 the results …
RMeli updated
2 years ago
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It’ll be a bit difficult, but at least I actually used legacy computers. Specifically EGA/VGA IBM compatibles (MDA i just saw but did not use extensively), ZX Spectrum clones and Korvet.
And one qu…
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### Does this question already exist in our backlog?
- [X] I have checked and confirm this is a new question.
### What is your question?
When checking the "Admin | Inactivity notifications v2 (Star…
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## Expected & actual behavior ##
Within GROMACS TPR files the atom ids are continuous and starting from 1 (as far as I am aware -- that is the way it works in gromacs index files at least).
When r…
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Now we have various combination of testable audio plugins (LV2-based plugins e.g. mda, and JUCE-based plugins e.g. andes and SARAH) as well as hosts (aaphostsample, JuceAAPAudioPluginHost), there shou…
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VocabularyType cannot be assigned a value, there is no SET property,
VocabularyType cannot be assigned a value, there is no SET property,
However, when creating an xml document, it gives an error …