Dear Vlad,
Mg2+ parameters are to be found in the parm91 and parm99 AMBER force-fields
parm91: 1.10 0.10
parm99: 0.7926 0.8947
We use the first set of parameters which seems to provide correct results
(although polarization and charge transfer effects are not taken into
account as mentionned by Jiri), see Chem Biol 2003 10 551
Pascal
> Dear ambers,
> Could somebody indicate me some literature where I can find
> parameters for Mg2+ used in RNA simulations?
> Thank you very much
> vlad
________________________
pascal auffinger
ibmc-cnrs
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http://www-ibmc.u-strasbg.fr/upr9002/westhof/biblio_pascal.html
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Received on Wed Jan 14 2004 - 15:53:06 PST
