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Dear all,
I've been running MD simulations using CHARMM and have been trying to run water analysis using GIST in cpptraj.
However. I found that with _griddim_ greater than 10, the calculation alwa…
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I've been talking with lots of people about what would be most useful to add in version 2 of SPICE. I've gotten lots of great suggestions. Here are some ideas in no particular order.
- **Solvated…
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Report from a partner:
- I see the new survey now. However, on the dashboard, I don't see the new survey responses -- there is just one entry in the demographics tab thus far.
- I have made a cou…
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Hello,
I'm looking forward to testing this package - I have a similar goal as in issue #19, and was planning to calculate separate trajectories for Mutant and wildtype cells - I can see in Monocl…
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### Bug summary
Hi,I calculate a system with LPH followed the tutorial,but it occur bad atom type error (bad atom type :IG) when program calculate complex contribution.
### Terminal output
```bash
…
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@tomalrussell @mz8i @matkoniecz do send any comments
This first comment box under the 'Data ethics/security' issue is used to both highlight issues and track progress on Colouring Cities content, …
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(Striking out to separate two issues - See #3473)
~~I am facing the following issue in VAPOR3.9~~
~~**raw2vdc: /usr/local/exelis8.5.1/idl85//bin/bin.linux.x86_64/libcurl.so.4: no version informati…
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**Submitting author:** @axtimhaus (Max Weiner)
**Repository:** https://github.com/pyroll-project/pyroll-core
**Branch with paper.md** (empty if default branch): joss
**Version:** 2.1
**Editor:** @phil…
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Hello.
I want to help with adding timestamps to videos on [The Julia Programming Language](https://www.youtube.com/channel/UC9IuUwwE2xdjQUT_LMLONoA) channel, so I already read timestamps of some of…
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- all bounding boxes of the trajectories have the same timestamp (most likely not the reason), but different frame numbers
- 6 gates
- 6 flows
- saving of the events give a empty eventlist
cmd e…