Re: [AMBER] Radius of phosphate

From: David A Case via AMBER <amber.ambermd.org>
Date: Sat, 6 Dec 2025 11:06:59 -0700

On Fri, Dec 05, 2025, Reza Khayat via AMBER wrote:
>
>This is a general Chemistry question that may not have a single
>answer. I've not been able to find a VDW radius of dehydrated inorganic
>phosphate (Pi). I have found QM calculations of hydrated Pi , but this is
>not helpful.

It's not clear what you want: do you want (for some reason) the effective
radius of for the entire Pi molecule? Or radii for the individual atoms in
that molecule?

In either case, the "answer" depends on how you plan to use the resulting
values. Why do you want or need this number?

...regards...dac


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Received on Sat Dec 06 2025 - 10:30:04 PST
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