[gmx-users] SWCNT Topology

[Justin A. Lemkul]

You will find useful information here:

http://wiki.gromacs.org/index.php/Carbon_Nanotube

as well as by searching the list archives.  CNT questions arise fairly often.

-Justin

Quoting Mayank Verma <mayankve at hotmail.com>:

>
> Hi,
>
> I'm facing problems with creating topology of CNT.
>
> I have a x,y,z coordinates for the SWCNT which (10, 10), has 800 atoms, 1160
> bonds, bondlength: 1.4520 A and tube length: 50.
>
> I need the toplogical information about this CNT. how to go about it, using
> GROMACS or anyother software?
>
> Thanks
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/

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