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
Received on Wed Sep 25 2002 - 12:09:53 PDT
