Re: moving inner wall of nanotube with outer wall fixed

From: johan strumpfer (johanstr_at_ks.uiuc.edu)
Date: Tue Mar 15 2011 - 12:01:36 CDT

Dear Sakthi,

The way to do this would be use steered molecular dynamics (SMD). See
the SMD tutorials:
http://www.ks.uiuc.edu/Training/Tutorials/#deca
and
http://www.ks.uiuc.edu/Training/Tutorials/#channel

Cheers,
Johan

On Tue, Mar 15, 2011 at 4:29 AM, sakthi kumaran <persakthi_at_gmail.com> wrote:
> Dear all,
>       I have a double wall naotube structure(5,5)@(10,10).I need to have the
> outer wall atoms fixed and need to pull out the inner wall as a whole
> through some force.How to do so in namd? any procedure to do so any
> tutorial/manual. Please help me in this aspect of namd
>
>
>
>
>
> Thank you,
> Kind regards,
> Sakthi

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