AMBER Archive (2002)

Subject: (no subject)

From: Apostoluk, Wlodzimierz K (Wlodek_at_pnl.gov)
Date: Wed Sep 25 2002 - 14:09:53 CDT

Hello,

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?
Thank you in advance for the help,

Wlodek Apostoluk