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In GitLab by @pzakopaylo01 on May 12, 2018, 21:28
After a `rustc` update (`nightly-1.25` -> `nightly-1.27`) frame pointers are no longer generated by default. This causes issue with the `jtoc_call!` …
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In GitLab by @caizixian on Jul 3, 2018, 12:19
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Hello,
I have the following problem with the calculation of the normal modes. When trying to open on linux the normal mode interface I have:
RuntimeError: module compiled against API version 0xa…
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Because of a notation **_@uninterruptible_**, we cannot print debugging string using **_System.out.println_**.
we tried with three different ways,
1. So, I commented out all the uninterruptible n…
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[Semantic versioning](https://semver.org/) is a widely used convention in software development, distribution, and deployment. In spite of a long-lasting discussion about its appropriateness (Google kn…
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ghost updated
6 years ago
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- [x] parsing de pdb
- [x] calcul des angles phi psi
- [x] plot matplotlib
nanls updated
7 years ago
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I am not sure your philosophy in designing `mdanalysis`, but my first though when creating something like `traj` (from `pytraj`, `mdtraj`, ...) or `Universe` in `mdanalysis` is to try to iterate it.
…
hainm updated
9 years ago
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Got this email today (see below). Posting it here in case others would like to respond.
Hi Jeffrey,
I am helping the Debian GIS Team to transition to the latest NetCDF C
library which has had the f…
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Currently, OpenMM can create `System` objects by reading AMBER prmtop/inpcrd or parameterizing proteins with AMBER forcefields from PDB files, but going the other direction (writing AMBER prmtop/inpcr…