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Simulation example #15

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jennyfothergill opened this issue May 14, 2021 · 1 comment
Closed

Simulation example #15

jennyfothergill opened this issue May 14, 2021 · 1 comment

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@jennyfothergill
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jennyfothergill commented May 14, 2021

From discussion with @chrisjonesBSU:

So, for [msibi] to work though, the trajectory passed in when creating a state has to already be coarse grained, right? It was ran as an atomistic trajectory, but each frame of the .gsd file would have to be mapped to whatever coarse grain scheme is being used.

Let's work up a workflow that goes from gsd->CG_compound->gsd (usable by msibi)--a good candidate is the propane simulations.

@chrisjonesBSU chrisjonesBSU linked a pull request May 19, 2021 that will close this issue
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jennyfothergill commented Oct 18, 2021

Closed by #19

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