[gmx-users] SWCNT Topology

Justin A. Lemkul jalemkul at vt.edu
Fri May 9 00:13:03 CEST 2008


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
> _________________________________________________________________
> Get Free (PRODUCT) RED™  Emoticons, Winks and Display Pics.
> http://joinred.spaces.live.com?ocid=TXT_HMTG_prodredemoticons_052008



========================================

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/

========================================



More information about the gromacs.org_gmx-users mailing list