Adding H-bonds to neutralize GNR built using Nanotube Builder in VMD

From: Priyanka Mondal (pmondal_at_udel.edu)
Date: Tue Apr 23 2019 - 09:30:26 CDT

Hello all,
I am using nanotube builder in vmd to create ZGNR/AGNR. The visual window
doesn't show any H-atom that neutralizes the edge bonds of the ribbon in
finite direction. I was wondering how to make sure that it is actually
creating ZGNR or AGNR ?
Also, is there any package available or can I use tcl script to add
H/N-bonds to the edge atoms to the structure with larger number of atoms (
I know that molfacture cannot handle bigger system size )?

Priyanka Mondal,
Department of Physics and Astronomy,
University of Delaware,
USA

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