[gmx-users] water atom locations from genbox

Sikandar Mashayak symashayak at gmail.com
Fri May 14 20:33:07 CEST 2010

I have to create a box with given number of water molecules (spc/e) in it.
So I use genbox -cs spc216.gro -maxsol n -box , with appropriate box size
and n.
But I observe in the out.gro that some atoms are outside the box, so How do
I make genbox to keep all atoms within the box specified?

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