[gmx-users] What is the meaning of negative surface tension?
gozdeeergin at gmail.com
Fri Sep 23 18:00:44 CEST 2016
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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