[gmx-users] What is the meaning of negative surface tension?
Surya Prakash Tiwari
sptiwari at gmail.com
Sat Sep 24 23:40:38 CEST 2016
What are the uncertainties in your pressure values?
Sent from my phone
On Sep 23, 2016 12:01 PM, "gozde ergin" <gozdeeergin at gmail.com> wrote:
> Also when I check the pressure in X,Y and Z axis,
> Pzz = -0.34 bar
> Pyy = -1275 bar
> Pxx = 32 bar.
> Pyy and Pxx should be equal to each other. So basically system is not
> under equilibrium conditions.
> How should I solve this problem? Any idea?
> > On 23 Sep 2016, at 09:27, gozde ergin <gozdeeergin at gmail.com> wrote:
> > Dear all,
> > I am simulating organic covered salty water system in order to estimate
> the surface tension. Force field is Charmm36 and water model in TIP3P.
> > Surface tension is -127 mN/m after 5 ns run. What is the meaning of
> negative surface tension?
> > I was expecting +30 ~ +40 mN/m but not negative.
> > Maybe my system was not under equilibrium conditions.
> > Will longer running solve the problem? Any help would be appreciated.
> > Thanks in advance.
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