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I run this code for proteins solvated in hexane. But some of my structures look like this and are just dispersed in space. no bonds.
my code:
```
from openmm.app import *
from openmm import *
…
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Hi, I want to build a protein-ligand system where the ligand has more than 150 atoms.
Here is my script:
```
def read protein(protein_file):
protein = pdbfile.PDBFile(protein_file)
retu…
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There is a bug (in Ondatra) and it is assuming DevicePort as the InsidePort here: https://github.com/openconfig/ondatra/blob/main/knebind/knebind.go#L486
This works for Arista and Nokia because th…
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![image](https://github.com/pi-base/data/assets/149833592/13b51391-f684-4c29-8a2e-e70f541901b8)
Munkres, J. R. (2013). Topology: Pearson New International Edition.
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### Describe the problem to be solved
I have some multi region clusters and while I'd like to use Spegel, I'm concerned it will lose some effectiveness due to some of my nodes being in different regi…
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**Windows 11 Pro
FreeCAD 0.21.2
Scipy 1.4.? (anaconda)**
(works on Ubuntu 22.04, FreeCAD 0.21.2)
```
18:52:17 Traceback (most recent call last):
18:52:17 File "C:\Users\...\AppData\Roami…
kds69 updated
2 months ago
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We need to test that raft-based topology can handle 100 nodes.
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So we have a special replication cluster (not cluster mode), where every node is connected to every other node within the cluster and every node eventually will have identical dataset. Each node can b…
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/kind bug
**What happened?**
https://github.com/kubernetes-sigs/aws-ebs-csi-driver/issues/729
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Hi, I wonder why disabling PETSc in the in the demos/topology_optimisation example would lead to NaN problem.
The code to change here is
`fwd_pred = ad_wrapper(problem, linear=True, use_petsc=True…