[gmx-users] About support for infinite systems in cvs version

David spoel at xray.bmc.uu.se
Fri Sep 19 19:33:01 CEST 2003


On Fri, 2003-09-19 at 19:17, Wei Zhang wrote:
> Dear David,
> 
> I don't see the support for infinite systems in the current CVS verion Gromacs works.
> 
> I simulated a carbon nanotube. I used periodic boundary condition. When I use the windows version 3.1.2, it runs fine. But when I use the CVS version and let pbc=full, it gives bad result. 
can you be more sepcific? what does it mean, bad results?
> 
>         Wei Zhang
>         zhangw at sinr.ac.cn
>           2003-09-20
> 
> 
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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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