AMBER Archive (2003)

Subject: Re: AMBER: Mg2+ parameters for RNA usage

From: Pascal Auffinger (P.Auffinger_at_ibmc.u-strasbg.fr)
Date: Wed Dec 10 2003 - 09:30:47 CST


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
15 rue rené descartes
f-67084 strasbourg cedex
france

tel: (33) 388 41 70 49
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e-mail: p.auffinger_at_ibmc.u-strasbg.fr
http://www-ibmc.u-strasbg.fr/upr9002/westhof/biblio_pascal.html
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