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### Community Note
* Please vote on this issue by adding a 👍 [reaction](https://blog.github.com/2016-03-10-add-reactions-to-pull-requests-issues-and-comments/) to the original issue to help the commu…
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Hello! I'm just curious if QuickFF can simultaneously parameterize multiple molecules and generate a shared force field covering all of them? It seems the current use case has focused on single-mole…
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I've come in quite a few cases where I wish only the fields that differ from the default value in the class is saved.
For instance, if I have a section that has a type property, and some fields are…
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- [x] I believe this to be a bug with LigParGen
- [ ] This is a feature request
## Issue Information
Software name & Version: Gromacs 2016
Method: plain MD sampling of ligand (mol attached) coo…
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I will document the tests for the current smoothing/current interpolation fix here.
**3D reference run without current smoothing. Standard LWFA example using 4 GPUs.**
**@t=7000DT**
![image](ht…
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Hi,
Is it possible to use another force field for small molecules like OpenFF? or is it hard to try to implement that?
Is it use Single or Dual topology for the openMM option? Is it possible to …
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Our client uses multiple languages in their website (TYPO3 10.4). The main part is only translated to german and english. But some landingpages have more translations, e.g. french.
Some links in the …
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Hi, there is a way to handle a field that the type is date and hidden at the same time?
I need to specify that the type is date to force jtable to parse the field and hidden cause I dont wanna show …
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I have a system generated for AMBER that's a PRMTOP/INPCRD file pair. It contains a non-standard residue (GLA) that was parameterized by means that I am not aware of, nor do I have access to the origi…
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Hi,
We have been working with Kapacitor to generate alerts based on metrics threshold (simple ones) on:
__SO__: RHEL 7.4
__Kapacitor__: Kapacitor OSS 1.5.0 (git: HEAD 4f10efc41b4dcac070495cf9…