[gmx-users] desorting

leafyoung81-group at yahoo.com leafyoung81-group at yahoo.com
Mon Oct 31 07:55:22 CET 2005


--- aneamtu at iasi.mednet.ro wrote:

> 
> 
> Hello,
> 
> I have done some simulations in parallel with the
> option -sort and -shuffle.
> I managed to deshuffle the *.trr file but I need
> also to desort it. Is there any way of doing this?
At first glance, I thought that you are asking
"deshuffling". There is no "desorting" in gromacs (You
don't need to do that.).
> 
> Andrei
> 
> ------------------------
> Dr. Andrei Neamtu, M.D., Assistant Researcher
> Dept. of Biophysiscs
> University of Medicine and Pharmacy "Gr. T. Popa"
> Iasi
> Str. Universitatii nr. 16 
> IASI
> ROMANIA
> ------------------------
> 
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