[gmx-users] Reg: Surface tension of water

[André Farias de Moura]

did you increase the size of the box in one direction in order
to create a water/vacuum interface on each side of the water
slab?
best,
Andre

On Tue, Dec 7, 2010 at 8:21 AM, vinothkumar mohanakrishnan
<kmvinoth at gmail.com> wrote:
> Hi all
>
> I want to calculate the surface tension of water using SPC model of water. I
> searched the mailing list and there is no post on the surface tension of
> water.I performed md simulation of 482 molecules of water in a triclinic
> box. I got the average surface tension value of water (300K) as 38.3299 bar
> nm which is 3.832 mN/m where as the experimental surface tension value is
> 71.6 mN/m. why my surface tension value is very low and what is the reason?
> any help is highly appreciated.
>
> Regards
> Vinoth
>
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