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Swarm-CG & Gromacs 2021 #42

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Maryam-Sadeghi opened this issue Jun 25, 2021 · 0 comments
Open

Swarm-CG & Gromacs 2021 #42

Maryam-Sadeghi opened this issue Jun 25, 2021 · 0 comments

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@Maryam-Sadeghi
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Hi, I'd like to use your model to optimize bonded parameters for a drug molecule. Just wanted to check if your tool is compatible with the latest version of gromacs (2021) and does it currently handle virtual sites?
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@Maryam-Sadeghi