[gmx-users] construct the long polymer chain

[Justin Lemkul]

On 3/21/13 10:35 PM, cqgzc wrote:
> Hi
> I have been following
> http://lists.gromacs.org/pipermail/gmx-users/2009-March/040125.html(procedure
> by Justin) to construct the Polyethylene (PE). However, I can only get the
> PE with length 6 just like
> CH3-CH2-CH2-CH2-CH2-CH3. Therefore, I want to know how to obtain the long
> polymer chain(e.g. length=20) using this method. Any help with my
> appreciate.
>
>

The method I proposed has no limitation on length of the polymer chain.  I can't 
fathom a reason why it would work with 6 monomers but not 20, aside from some 
problems with the input structure.  I have not been following this thread 
closely, so my apologies if I've missed some critical detail along the way.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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