On 22 March 2011 22:31, Justin A. Lemkul <[email protected]> wrote: > > > 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. >
Yes, so why are the results so different. I am using exactly the same mdp file.! > > -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 > > ======================================== > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the www interface > or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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