[gmx-users] Na+ in OPLS

[David]

On Tue, 2004-04-27 at 17:32, parinald at unsl.edu.ar wrote:
> If I run NaCl in water and dmso whitch  must to use?
> 
> opls_407   22.98977  ; Na+    Aqvists cation
> opls_405   22.98977  ; Na+ JACS 106, 903 (1984)
>                                                 Thank you.
> 
I think Jorgensen himself uses Aqvist's parameters.
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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