[gmx-users] trjconv with option -pbc cluster

[David]

On Wed, 2004-10-20 at 20:31, Isabella Daidone wrote:
> Hi,
> when using trjconv (v 3.2.1) with the option -pbc cluster
> the programs writes something like:
> COM:    8.154     6.749     4.423  iter = 617715
> COM:    2.542     6.404     4.423  iter = 617716
> COM:    8.154     6.749     4.423  iter = 617717
> COM:    2.542     6.404     4.423  iter = 617718
> .....
> and no output is given!
> Any idea?
Apparently translation by a box in X & Y does not improve the
clustering... Can you think of a smarter algorithm?


> Grazie
> isabella
> 
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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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