[gmx-users] Re: Can i construct a solid wall in gromacs?
Dr. Vitaly Chaban
vvchaban at gmail.com
Mon Dec 3 23:01:41 CET 2012
> Dear All users
> Can i construct a solid wall in gromacs?
> 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
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