AMBER Archive (2009)
Subject: Re: [AMBER] Inorganic Phosphate Parameters. .
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,
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,
> AMBER mailing list
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