I tried to build CNT using a few softwares like Nanotube Modeller. Unfortunately, I have to pay for that if I want to save the structure. So, I found another alternative which is VMD, but I do not know how to use it. Can someone help where to find to tutorial? Or maybe the specific command to build CNT.
1st google result...
http://www.ks.uiuc.edu/Research/vmd/plugins/nanotube/
I have written a code in order to create .gro file of Carbon nanotube, you can use it. It's written in C++ . By tuning the parameters you can create any kind of CNT. If you have a question write a message!
https://nanohub.org/tools/cntbands-ext/browser/trunk/src/fortran/maketube.f?rev=2
it is simple in VMD to build a desired CNT
in VMD toolbar
Extensions > Modeling > Nanotube Builder
Hello,
Does anyone know how to functionalize the CNT in VMD (for example, adding 8 hydroxyl group)? or can you suggest any other software for functionalising the CNT?
Thanks
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