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Fixed F-P-F angle for PF6- in OPLSAA+
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@seamm seamm released this 07 Sep 00:23
· 28 commits to main since this release
2023.9.6
a374aaf
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Learn about vigilant mode.

The Lennard-Jones repulsion added to the angle was not quite sufficient to stop it having a metastable structure with an FPF angle of ~40º.

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