[gmx-users] from unit cell to supercell

Bukunmi Akinwunmi bukunmi.akinwunmi at uef.fi
Mon Jun 18 09:50:59 CEST 2018

I would like to increase my model size to have a bigger model in all directions. When I used the genconf command, my model increased in x direction but multiplied in y and z directions i.e gmx genconf -f in.gro -o out.gro -nbox 2 2 2 gave me 4 molecules instead of a big single molecule. How do I fix this.


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