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

David van der Spoel spoel at xray.bmc.uu.se
Tue Oct 3 11:43:53 CEST 2006

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 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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