Creating topology for carbon nanotube / any new structure

From: prateeksha s (
Date: Tue Dec 18 2007 - 22:41:04 CST

Hi all,

I have a Carbon nanotube (6,6) pdb , and I'm trying to generate a psf file
for it . The problem is that the topology file used for generating the psf
does not have entry for the CNTube. So , I've tried to create a residue ,
but it seems to be wrong though it looks alright. Can anybody please let me
know how to generate topology information (basically bond info) from a pdb
file . Also, is there any method of getting a psf from a bgf file ?

Please let me know .


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