[gmx-users] potential on non-protein molecules

David van der Spoel spoel at xray.bmc.uu.se
Fri May 14 14:09:02 CEST 2004


On Fri, 2004-05-14 at 13:56, gianluca santarossa wrote:
> >Otherwise fluctuations are proportional to 1/sqrt(N) where N is the
> >number of atoms.
> >
> >  
> >
> Sorry for the silly question, but I'm studing mechanical statistics yet.
> I have studied that this is the case in NVE ensamble. I don't understand 
> if in NVT ensamble it is the same.
it just statistics, averaging over N items, the stddev is proportional
to that.
> Gianluca
> 
> 
> 
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-- 
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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