[gmx-users] box size problem

[leafyoung81-group at yahoo.com]

--- leafyoung81-group at yahoo.com wrote:

> --- Rahul Karyappa <r.karyappa at ncl.res.in> 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?
> sorry that I cannot reproduce this with a box size
> 25x25x25. my genbox version is VERSION
> 3.3_beta_20050202. Where does genbox stop? 
Sorry for being not clear. What I meant is that I did
a test with a box of 25x25x25, and it succeed in make
a water box. I don't think that there is problem with
GROMACS. could a problem with your linux system,
library, memory depletion, etc. Try GROMACS on another
machine, perhaps.
> >    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.
> > What may be the problem? Looking forward to your
> > kind reply.
> > Rahul Karyappa
> > NCL, Pune
> > 
> >
>
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