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

[Justin Lemkul]

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

-- 
========================================

Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================