[gmx-users] about pulling Na+ and CL- in vaccum

[David van der Spoel]

Wang Ling wrote:
> hi, everyone
> 
>         i want to use AFM pulling to pull Na+ and CL- apart in vaccum, but
>  everytime fails, so i want to know if Gromacs can simulate only two ions?
> what is the difference between simulations in vaccum and solvent? could you 
> give me some suggestions about simulation in vaccum?
> 
> thanks in advance!
> 
> 
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I don't see why it shouldn't work. Please explain what goes wrong.

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. 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://folding.bmc.uu.se
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