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**Expected behavior**
I have a TRR "000001-00043359.trr" whose last frame is damaged (as shown by `gmx check -f 000001-00043359.trr`.
For a TRR trajectory with a damaged frame, iteration
```py…
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The interface to our trajectory writers is inconsistent and should be fixed.
- Not all of them accept the same options (or fail if one provides an unrecognized one), which is bad if one wants to write…
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```
It would be cool if the speed and altitude graphs were accessible vie one-click
from statistics screen (i.e. on Speed or Altitude area respectively), not only
via settings screen.
Or is there so…
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## Is your feature request related to a problem? ##
ASE (https://wiki.fysik.dtu.dk/ase/index.html) is becoming more and more popular as a calculation engine and interoperability layer, with calcu…
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Used some of the other groups pages as reference! Thanks you guys:
https://github.com/stat157/background/issues/13
https://github.com/wliang88/Earthquake-Curators/blob/master/README.md
# Members
Hon…
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Mautic stored the countries in plain text (not iso3)
I wrote a small wrapper to covert the iso3 to the mautic plain text equivalent
` // based on : app/bundles/CoreBundle/Assets/json/countries.…
robov updated
3 weeks ago
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Hello.
Thanks for this awesome work.
I have a protein-ligand system parameterized with openff. I can save it as amber format parm7 or prmtop files. But, it's not very straightforward to save frc…
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**Describe the bug**
topology and trajectory created with recent version of oxDNA 3.6.1 does not load in MN
**To Reproduce**
[http://tacoxdna.sissa.it/XYZ_oxDNA]
- generate test.oxdna using ta…
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### Bug Description
I ran into the following DEBUG ASSERT at startup:
`DEBUG ASSERT: "pManifest.isNull() == pEffectPreset.isNull()" in function void __cdecl EffectSlot::loadEffectInner(const class…
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The lock mass (a.k.a. mass drift compensation) is a common and widely accepted method to assign masses for mass spectrum using internally added (spiked) mass reference samples. A cause of mass drift…