[gmx-users] Re: Extending water in negative Z direction

David van der Spoel spoel at xray.bmc.uu.se
Fri Jun 5 08:41:50 CEST 2009


Anirban Ghosh wrote:
> Hi ALL,
> 
> Thanks for the reply. I think what I mean will be more clear by just 
> having a look at the structure (attached). I have tried by increasing 
> the Z value, as suggested by David, but that only extends the water on 
> one side of the bilayer only and not on the other side (which I need). 
> Please have a look at the structure.
> Thanks a lot.

Please go back to the manual and read about PBC.



> 
> Regards,
> 
> 
>  
> *Anirban Ghosh*
> *Grade Based Engineer
> Bioinformatics Team
> Centre for Development of Advanced Computing (C-DAC)
> Pune, India
> *
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Professor of Biology
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://folding.bmc.uu.se
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