[gmx-users] Creating layers of atoms in the BOX

Justin Lemkul jalemkul at vt.edu
Tue Nov 6 14:27:03 CET 2012

On 11/5/12 11:52 PM, harshaljain950 wrote:
> Dear all,
> I am a final year undergrauate student and a novice in GROMACS.
> I want 3-4 layers  of Carbon atoms to be added one over the other in my box
> starting from Z=0 to Z=(3-4 carbon diameter). How can I do that. Please help
> me out

genconf -nbox can be used to create grids of atoms, and editconf -center can be 
used to place any sets of atoms at any given location in the box.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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