AMBER Archive (2009)

Subject: Re: [AMBER] Inorganic Phosphate Parameters. .

From: Don.Bashford_at_stjude.org
Date: Fri Dec 18 2009 - 16:12:58 CST

I don't think it's silly at all. I have (almost) the same problem.
I'd be interested in the -2 charge state of inorganic phosphate, and
also in inorganic sulfate anions. I had no luck searching the list
archives, or the Bryce-group database,
http://www.pharmacy.manchester.ac.uk/bryce/amber

-Don

At Fri, 18 Dec 2009 14:19:21 -0600,
Cihan Aydin wrote:
>
> Greetings AMBER community,
>
> It may sound like a silly question but I am trying to simulate a protein
> with an inorganic phosphate (PO4-3) and I seem to cannot get parameters
> for the inorganic phosphate...
>
> 1- Is PO4-3 parameters available in AMBER? If available, how should I
> modift my pdb file to get leap to interpret correctly?
>
> 2- If PO4-3 parameters are not available, does anyone know anyplace that
> I can look for them?
>
> Thank you,
>
> Cihan
>
>
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