RE: Nanotube Simulations

From: Jason Lee (hellocunning_at_hotmail.com)
Date: Tue Aug 02 2005 - 14:23:32 CDT

Hi, there

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
connection information.

Good lucks

>From: Gaurav Sharma <sharma_at_coe.neu.edu>
>To: namd-l_at_ks.uiuc.edu
>CC: vmd-l_at_ks.uiuc.edu
>Subject: namd-l: Nanotube Simulations
>Date: Tue, 02 Aug 2005 09:51:14 -0400
>
>Hi All,
>
>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
>using NAMD?
>If yes, where can I find the required parameter and topology files
>containing the appropriate (brenner's)
>force field potential?
>
>Any suggestions are welcome.
>Thanks,
>Gaurav
>
>

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