[gmx-users] Creating an FCC lattice surface in GROMACS

Alex nedomacho at gmail.com
Tue Feb 14 02:17:44 CET 2017

There isn't, even if we assume that Gromacs is the right tool for the job.
Periodic structures are elementary to generate with scripts.
Of much more concern is the fact that you may be trying to model a metal
surface as a collection of van der Waals particles.


On Mon, Feb 13, 2017 at 5:43 PM, Rajorshi Paul <
rajorshipaul.iitkgp at gmail.com> wrote:

> Hi,
> I need to create a tethered FCC lattice surface in GROMACS. Is there any
> way of doing this directly in GROMACS?
> Is there any other software that can be used for the same and imported into
> Thanks!
> Raj.
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