[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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