[gmx-users] Separate structure from box

[Wes Barnett]

On Tue, Mar 20, 2018 at 2:30 AM, rose rahmani <rose.rhmn93 at gmail.com> wrote:

> Hi,
> I want to extract a structure in a box, i mean i want to extract a sheet
> from the box of solution, because i dont have any separated .gro file from
> my sheet. How can i do that?
>

Try creating an index file using "gmx make_ndx" to create an index group
containing just the atoms you want. Then use "gmx trjconv" to output a file
only containing that group. See the "-h" flag for both of those commands.


-- 
James "Wes" Barnett
Postdoctoral Research Scientist
Department of Chemical Engineering
Kumar Research Group <http://www.columbia.edu/cu/kumargroup/>
Columbia University
w.barnett at columbia.edu
http://wbarnett.us