Joshua Ballanco wrote:
Hello all,
Apologies if this is obvious, but I've been reading through the manual
and various Google searches and come up empty-handed. My question is if
it is possible to construct an infinite polymer chain in Gromacs? That
is, I'd like to setup a cell with PBC, but have one end of my molecule
bound to its replica across the boundary. As far as I can tell, adding
extra bond records to the topology always turns my polymer into a loop
in one cell.
use the mdp option periodic_molecules = yes
Thank you for any advice.
Sincerely,
Joshua Ballanco
Graduate Student
Department of Chemistry and Chemical Biology
Stevens Institute of Technology
Hoboken, NJ 07030
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