[gmx-users] <r_i>

[David]

On Wed, 2003-09-17 at 11:35, Nguyen Hoang Phuong wrote:
> Dear All,
> 
> support that I run a simulation of waters for very long time
> (t-->infinity). I assume that the time average of the vector <r_i> of the
> atom ith of a water molecule should be zero. Is it correct?
> 
no, because we have the origin in a corner of the box, not in the
center. You should get the center of the box as a result.
> Thanks,
> 
> Phuong
> 
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
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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