Re: your mail

From: David A. Case <>
Date: Mon 30 Sep 2002 09:35:06 -0700

On Wed, Sep 25, 2002, Apostoluk, Wlodzimierz K wrote:
> I am little bit confused about magnesium parameters in AMBER99 force field.
> In the parm99 file there is a reference to paper by Aqvist (JPC 1990, 94,
> 8021)
> and a note that parameters were adapted. After recalculation amber99 values
> from TIP3P to SPC water model used by Aqvist it seems that parm99 parameters
> do not match Aqvist's. I was wondering if somebody know what was adaptation
> procedure and if it maybe was published somewhere?

The procedure is outlined at the Amber FAQ:

This might help. Otherwise, we would need more details about how to
"reconverted" back to SPC.

..hope this helps...dac

David A. Case                     |  e-mail:
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
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La Jolla CA 92037  USA            |
Received on Mon Sep 30 2002 - 09:35:06 PDT
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