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
--
========================================
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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