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Since a lot of people are working on tuning FPU at the moment and some people are exploring tweaks to the search algorithm I wanted to share a few areas of research I was looking over this evening, in…
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Hello experts,
I've been trying to run simulations of proteins with a hybrid, both explicit+implicit, solvent model, but don't really know what is the right way to define the forcefield.
It is …
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**Submitting author:** @gezelter (J. Daniel Gezelter)
**Repository:** https://github.com/OpenMD/OpenMD/
**Branch with paper.md** (empty if default branch):
**Version:** v3.1
**Editor:** @srmnitc
**Re…
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Game AI Pro
https://ift.tt/1oAx52B
About 0 Minutes
All book chapters are free to download.
Enjoy!
-Steve Rabin, Series Editor
The third volume in the Game AI Pro book series (publish…
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Hi,
I was looking to play with this package and I encountered an issue with `run_wizard()`
First of all I have `julia v1.9.1` and I have an environment where only `LatticeQCD.jl v.1.0.6` has been …
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**Is your feature request related to a problem? Please describe.**
Using LAMMPS can be a bit of a pain.
**Describe the solution you'd like**
OpenMM is a really easy to use, Pythonic MD code that…
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**Feature request**
It would be valuable to have additional additional ways of dealing with polydispersity in the calculation of structure factors. I work on colloidal systems, often with size size d…
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### Describe the bug
Inability to find suitable epsilon in hybrid monte carlo epsilon search when attempting to use NUTS MCMC. SS3 input files have been provided to @Rick-Methot-NOAA.
### To Reprodu…
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I am running temperature replica exchange simulations on small coarse-grained oligomer systems (containing a single chain), and have been using an ensemble validation check on the energies for thermod…
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## Description
Add an exact non-linear solver for systems of simultaneous equilibria to the NICE (“***N***-species ***ICE***-table”) Julia module.
## :books: Package Description and Impact
A syst…