[gmx-users] Re: Can i construct a solid wall in gromacs?

[Dr. Vitaly Chaban]

> Dear All users
>
> Can i construct a solid wall in gromacs?
>
> --
> Sincerely
>
> Ali Alizadeh


Yes, you can. Atom-by-atom, until your castle is ready.


If you start with 1-atom unit cell, you can then

genconf -f unitcell.gro -o wall.gro -nbox $many $many $many

Afterwards, the only challenge is to place this wall correctly into
your [final] box.


Dr. Vitaly V. Chaban
MEMPHYS - Center for Biomembrane Physics
Department of Physics, Chemistry and Pharmacy
University of Southern Denmark
Campusvej 55, 5230 Odense M, Denmark