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It would be good to dynamically update the website and documentation using an approach similar to that of BioSimSpace, i.e. sphinx and GitHub pages. This will require splitting @chryswoods personal we…
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These are the projects from the old page:
### Federally Funded Active:
* [x] RADICAL-Cybertools
* [x] ExTASY Project
* [x] NSF CAREER Award
* [x] Imagery Cyberinfrastructure and Extensible …
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Hi!
I've spent some time debugging why sim3C seems to give too many read pairs where one read is at the end of a chromosome and the other at the beginning. Typically a visualization of a HiC-matrix…
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**Describe the bug**
If the user doesn't specify the dihedral or angle the GOMC cannot build the molecule and will crash
**To Reproduce**
Run any simulation and removed dihedral or angle
**Exp…
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Hi guys,
I hope it is ok for you to write this message here. I would like to know if there is a way in Sparta to evaluate the enthalpy in the flow and at the boundary.
Thanks a lot,
Hermes
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### **Bug Reported on 6 September, 0:3 GMT +8:0 in**
Lab - Molecular Fluorescence Spectroscopy
Experiment - Familiarization with the fluorescence Instrumentation
**Type(s) of Issue -**
* Simulation N…
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Dear @martinjrobins,
Thank you for developing Aboria! I've thoroughly enjoyed using this library for analyzing molecular dynamics data in my work. One of the things that I've been curious about is …
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I'd argue that M/\ instead of M is a better quantity to be calculating. Volume is the more fundamental thermodynamic quantity (dG/dP = V), and the numerical behavior is better (doesn't overweight sma…
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reported by: @CloudyLex
```
Title:
Stark broadening of lines from transition between states n = 3 to n = 2 in neutral helium. An experimental and computer-simulation study
Authors:
Gigosos, M. A.…
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Hi,
Based on the error estimation - it requires te same sequence length. Can the model be adjusted to account for variable lengths are many molecular markers will amplify variable lengths, e.g., inde…