[gmx-users] Simulation of Carbon nanotube

Nikhil Maroli scinikhil at gmail.com
Thu Jun 22 13:00:33 CEST 2017


Dear Justin,
I have generated topology for CNT using gmx x2top. There is cyclic peptide
nanotube wrapped over the CNT (eight CP rings in equal intervals) otherwise
let's say, CNT is inserted into the Cyclic peptide nanotube. I wanted to
put the whole system into the lipid bilayer. I was using charmm-gui for the
input generator since it provides easy hand on CPN, So is it possible to
convert the CNT topology which generated with gmx x2top to 'Topology and
Parameters' for charmm-gui (*.rtf and *.prm)?
Thanks in advance.


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