[gmx-users] unit of surface tension, KJ/mol?

[Justin A. Lemkul]

Elisabeth wrote:
> Hello,
>  
> I did two simulations on the same system using versions 4.0.7 and 4.5.3. 
> It seems like the unit of surface tension is not the same in these 
> versions because I am getting ~250 KJ/mol an in 4.0.7 and ~ 5000bar nm 
> in 4.5.3?! How KJ/mol can be converted into bar nm? Can anyone help please.
> 

Is this from g_energy output?  In past versions, everything was printed as 
"kJ/mol," even quantities that obviously weren't, like temperature, pressure, etc.

-Justin

> Thanks
> 

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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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