VMD-L Mailing List
From: Kevin Wittkowski (kevin.wittkowski_at_epfl.ch)
Date: Thu Jun 13 2024 - 14:34:08 CDT
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Dear Sir, Madam
using VMD with the graphene and nanotube tcl commands and using TopoTools and the .inp file attached, I created the structure you find in attachments.
It is constituted of 4 graphene layers and a carbon nanotube.
By inspection in VMD, the bonds created internally are correct, however, I would like to create also the bonds that wrap around the periodic box.
How can I perform this operation?
Thanks beforehand.
Best regards,
Kevin Wittkowski
Assistant-Doctorant
EPFL STI LFMI
ME D2 2715
1015 Lausanne
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