[gmx-users] SWCNT Topology

Mayank Verma mayankve at hotmail.com
Thu May 8 23:51:11 CEST 2008


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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