[gmx-users] Units for VIRIAL
David van der Spoel
spoel at xray.bmc.uu.se
Thu Feb 2 13:35:12 CET 2006
Tandia, Adama wrote:
> Dear ALL,
>
> I would like to know the units of the virial
>
> (Sum_{i<j} [F(r_ij) . r_ij])
>
> calculated with g_energy.
> Is it [kg][nm*nm]/[ps*ps]?
>
> In advance, I thank you all for your prompt answer.
>
It is kJ/mol
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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