From: Jason Lee (hellocunning_at_hotmail.com)
Date: Tue Aug 02 2005 - 14:23:32 CDT
I think different nanotube will have different topology. You have to create
your own file for your nanotube. This is not very hard, just give some bond
>From: Gaurav Sharma <sharma_at_coe.neu.edu>
>Subject: namd-l: Nanotube Simulations
>Date: Tue, 02 Aug 2005 09:51:14 -0400
>I have posted a similar question on the list before but met with no
>response. Here is a simpler version:
>Is it possible to do molecular mechanics simulations on carbon nanotubes
>If yes, where can I find the required parameter and topology files
>containing the appropriate (brenner's)
>force field potential?
>Any suggestions are welcome.
Donít just search. Find. Check out the new MSN Search!
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:41:01 CST