[gmx-users] How to get the coordinate of periodic image

David spoel at xray.bmc.uu.se
Tue Sep 13 16:37:00 CEST 2005


On Tue, 2005-09-13 at 07:26 -0700, Tanping Li wrote:
> Hellow, evergyone,
>  
> I posted the question last week, but didn't get the
> response. I reaaly have no idea, so I post it again.
> 
> I am analysing the interaction between a specific
> residue in protein and the close waters. Because
> Columb is long-term interaction, I need to consider
> some periodic images of waters. How to get the
> coordinates of those waters? Thank you for your help.
genconf
> 
> 
> 
> Best
> Tanping
> 
> 
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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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