[gmx-users] infinite surface

[Giulio Scocchi]

Hello everybody.

 

I am a Gromacs beginner, so sorry if this question is trivial and/or I
am not precise. I would like to simulate an infinite surface of graphene
(or any other planar lattice structure). Gromacs supports pbc also in
two directions (as far as I understood) and that would really be perfect
for my purposes but.. in order to have a periodic infinite lattice, I
need to have atoms on one face of the cell being connected to the atoms
on the opposite face. So, how can I do this? Just by modifying the
CONNECT section of the input .pdb file? Will gmx programs understand? J


 

Thank you in advance!

 

Regards

 

Giulio  

 

 

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