[gmx-users] Box with the same size
Irina.Tikhonova at toulouse.inserm.fr
Wed Oct 20 15:17:44 CEST 2004
I have a system POPC-protein-water in pdb (system size 8.7 8.4 12.95) which
I built manually. I would like to built a new box for this system with the
same size approximately which I can use for simulation.
I tryed to do it using editconf
editconf -bt cubic -box 9 9 13 -f complex.gro -o complexB.gro -c
when I use the obtained file for simulation I found out that my complex is
cut in pieces in the box.
If i don't specify the box size it creates the box 16 16 16 which is too
big for my system.
How I can specify box size of my system correctly?
Thank you in advance,
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