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- [ ] Is there a chance that you could include a second submission script for folks that have to use PBS (rather than slurm) schedulers? I think this could lower the startup hurdle for new users.
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Hello,
I am trying to use the LIGGGHTS-PFM 21.11 to model coarse-grained particles in terms of flow and heat transfer process, but I failed to implement the model on LIGGGGHTS. The error is reporte…
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It is not really a failure; some ARPACK implementations (such as the one used in Debian Linux when compiling the igraph package from source) do not respect the `nev` setting; they will return _at leas…
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Before 0.10 is released, [igraph-scg](https://github.com/igraph/igraph-scg) should be updated for compatibility with 0.10.
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Hey everyone,
I want to apply a neutral aspartate (ASP0) patch to one of the aspartate residues in a protein. However, I could not figure out how to implement that. I tried `-modify A-ASP164:ASP0`,…
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I have a large network which for which I would like to visualize communities and multiple components.
I can load it in Cytoscape and do it there but I was looking for pythonic solution as it is muc…
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Hello,
I have been trying to use protonated histidine in my simulations and I am missing the "-his" flag as known from martinize1.
When using the "-mutate" flag with A-HIS31:HIH (on the tutorial …
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It looks like the `.yml` files have a few packages that aren't used anymore. Maybe some of them are due to the tutorial notebooks. I wonder if a better idea might be to create a separate coarse-graini…
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Hi,
I don't understand what are the 'a' and **kwargs arguments of decimate_mean.
Have you an real example how to use decimate_mean(a, maxpoints, **kwargs) ?
Cheers,
François-Régis Chalaoux.
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**Submitting author:** @Jacks0nJ (Joseph Jackson)
**Repository:** https://github.com/Jacks0nJ/PyFPT
**Branch with paper.md** (empty if default branch):
**Version:** v1.0.2.1
**Editor:** @drvinceknigh…