[gmx-users] box size problem

Rahul Karyappa r.karyappa at ncl.res.in
Sun Oct 2 07:12:28 CEST 2005


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

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