[gmx-users] Creating layers of atoms in the BOX
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.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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