[gmx-users] Continuous polymer chain?
jballanc at gmail.com
Fri Feb 6 17:54:04 CET 2009
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.
Thank you for any advice.
Department of Chemistry and Chemical Biology
Stevens Institute of Technology
Hoboken, NJ 07030
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