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On Windows I have a file named something like "mobilePhoneProjectFile.xml=", I run the publishing on it:
dita -p D:/projects/dita/mobile-phone/mobilePhoneProjectFile.xml= -v
Searching fo…
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Hello,
I'm trying to parameterize a fluorescent ligand in a protein using Espaloma template generator but I'm struggling to understand how to fix such an issue. It does not look self-explanatory an…
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**Description:**
Based on the description of the `Name` property of the property mediator given [here](https://mi.docs.wso2.com/en/4.3.0/reference/mediators/property-mediator/). The `Property Name` p…
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The error in the title got thrown from one of my tests. You can find the full stack trace [here](https://github.com/KKleinbeck/ChiralWaveguide.jl/runs/4301594262?check_suite_focus=true).
Package ve…
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Hi.
I'm trying to simulate droplet system with applied spherical potential.
But it constantly explodes even though I reduced step size to 0.5 fs and modified the potential parameters.
The fol…
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# Hakai Dataset Submission
Below are listed all the different steps related to the initial submission of a dataset.
A more detailed written and visual description of every step is available resp…
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Hi
I attempted to fit periodic ab initio data using GROMACS. Below are the details in the shot.mdp file:
integrator = md
dt = 0.001
nsteps = 0
nstxout = 0
nstfout = 1
nstenergy = 1
nstxtco…
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I found it to be often useful to have small fixed-size arrays for representation of arbitrary arrays and matrices without the array prefix:
- `uavcan.primitive.array.Real16x2` ... `Real16x9`
- `ua…
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Nishimura et all (2020) propose an HMC integrator that should work well discontinous likelihoods and hence also for discrete parameters. I was wondering if this could be added to AdvancedHMC as it h…