Creating topology for carbon nanotube / any new structure

From: prateeksha s (prateeksha.s_at_gmail.com)
Date: Tue Dec 18 2007 - 22:41:04 CST

• Next message: Harish Lnu: "Tcl-forces query"
• Previous message: Subramanian Vaitheeswaran: "Re: ABF: split reaction coordinate in widows"
• Next in thread: prateeksha s: "Re: Creating topology for carbon nanotube / any new structure"
• Maybe reply: prateeksha s: "Re: Creating topology for carbon nanotube / any new structure"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

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 .

Rgds,
Prateeksha

• Next message: Harish Lnu: "Tcl-forces query"
• Previous message: Subramanian Vaitheeswaran: "Re: ABF: split reaction coordinate in widows"
• Next in thread: prateeksha s: "Re: Creating topology for carbon nanotube / any new structure"
• Maybe reply: prateeksha s: "Re: Creating topology for carbon nanotube / any new structure"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:45:42 CST