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
--
========================================
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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