changes.mady.by.user Lily Wang
Saved on Oct 14, 2024
Saved on Oct 15, 2024
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Must have:
Virtual sites for Cl, Br, and pyridine
Retrained vdW terms and valence terms
Nice to have:
Potentially further iodine training sites
Not in scope:
Other virtual sites (e.g. sulfur)
Higher levels of theory