[gmx-users] box size problem

[David]

On Sun, 2005-10-02 at 10:42 +0530, Rahul Karyappa wrote:
> Dear all,
> 
>      I want to generate a box of size 18 x 18 x 18 (nm x nm x nm)
> which consists of a polymer chain surrounded by water molecules. So
> first by using editconf command I created the box with the above
> specified size. But when I gave command genbox to add the water
> molecules, my PC got hanged. Is there any limit for box size
> specification?
> 
>    I am using Fedora Core 3.0 on HP machine. Before this I have ran
> lots of simulations with the box size around 5 x 5 x 5 (nm x nm x nm)
> and it ran fine.
Probably not enough memory.


> 
> What may be the problem? Looking forward to your kind reply.
> 
> Rahul Karyappa
> 
> NCL, Pune
> 
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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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