Re: [gmx-users] What is the meaning of negative surface tension?

[Surya Prakash Tiwari]

What are the uncertainties in your pressure values?

Sent from my phone

On Sep 23, 2016 12:01 PM, "gozde ergin"  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  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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Re: [gmx-users] What is the meaning of negative surface tension?

[gozde ergin]

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  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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[gmx-users] What is the meaning of negative surface tension?

[gozde ergin]

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.
-- 
Gromacs Users mailing list

* Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

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