Dear Mr. Mishra,
For obtaining initial configuration of linear/hyperbranched polymer
you can use our Dendrimer Builder Toolkit (DBT).
Download it freely from the following link.
http://www.physics.iisc.ernet.in/~maiti/dbt/home.html
Although we have validated this tool for generating desired
generation dendrimer, but you can also use it efficiently for your
purpose.
Please also go through the published article for detailed information.
http://onlinelibrary.wiley.com/doi/10.1002/jcc.23031/abstract
From the AMBER archive http://archive.ambermd.org/201208/0034.html,
you can also get some basic idea about how to design residues for
building polymer.
Hope it is helpful for you.
On Fri, Jun 7, 2013 at 12:23 PM, Brahm Prakash Mishra
<[log in to unmask]> wrote:
> For molecular dynamic simulation of polymers, polystyrene specifically, how
> do I generate the initial structure of polystyrene? I wish to have an
> arbitrary initial configuration. I wish to use the united atom model of
> polystyrene.
>
> Brahm Prakash Mishra
> IIIrd Year B.Tech, Mechanical Engineering
> National Institute of Engineering, Trichy
>
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Warm Regards
Vaibhav Jain (Ph.D. Scholar)
Dept. of Pharmacoinformatics
NIPER, S.A.S. Nagar (Punjab)
India, 160 062
Mob no: +91-9988412195
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