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## **Module/Workflow/Library affected**
openmm module
## **Expected behavior**
run openmm
## **Actual behavior**
[2024-11-13 08:33:27,417 libutil ERROR] No output models generated. Chec…
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Building the following Hoon test case with `/*` works:
```
/* test-let-edit %hoon /tests/lib/let-edit
```
```
/+ jock,
test
::
|%
++ text
'let a:? = true;\0aa = false;\…
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I have come across something annoying with AMBER templates.
So if you export a PDB from Flare version 8.0.2 in 'AMBER PDB' mode it writes ACE and NME residues
with atom names consistent with th…
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When I run the run.sh in 3_train in example, there occurs the error below:
Traceback (most recent call last):
File "/public/home/yika/miniforge3/envs/deepH3/bin/deeph-train", line 8, in
sys.…
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### Steps to reproduce
```
$ git clone --depth=100 https://github.com/spack/spack.git
$ . spack/share/spack/setup-env.sh
$ spack spec aocc
```
### Error message
```
/home/sachiac/spac…
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The wiki says:
> Sella provides an interface that is compatible with the [ASE Optimizer class](https://wiki.fysik.dtu.dk/ase/ase/optimize.html) interface.
Trying to input `ase.filters.FrechetCel…
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**Description**
I think I'm running into https://github.com/MobleyLab/chemper/issues/99 or a variant when I try to create the following:
```
from openff.bespokefit.schema.smirnoff import AngleS…
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After pdb4amber, I can only get
HETATM 1 C ACE A 1 32.763 17.920 10.953 1.00 0.00 C
HETATM 2 O ACE A 1 31.579 18.240 11.127 1.00 0.00 O
HETA…
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For example, define a struct named Test with a field called foo of type string:
```Elixir
defmodule Test do
use Flint.Schema
embedded_schema do
field :foo, :string
end
end
```
W…
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What should I expect to be able to get? The docs seem to imply that 115,200 is reasonable. My real need is for 9-bit serial (this is for an addressing protocol so not a real 9 bits of data). The so…