Dear Amber users
I'm performing TI calculations, and I've got more like a methodological question. I'm replacing a hydrogen to a fluorine, but both atoms have to share the same xyz coordinates? Because the distance carbon-hydrogen and carbon-fluorine aren't the same, so, to me, it's not logic that both atoms have the same coordinates, but I don't know
Best regards
Vero
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Received on Fri Dec 13 2024 - 02:00:02 PST
