VMD-L Mailing List

From: Eduardo (chucruz_at_ks.uiuc.edu)
Date: Thu Mar 11 2010 - 01:33:56 CST

I built a very similar polymer, polyethylene terephthalate (PET),
from CHARMM model compounds. Just look at the supplementary material
of the following reference:

     * Faraday Discuss., 2009, 143, 47-62
     * DOI: 10.1039/b906279n

then, you will have an idea how to create your own polymer. If you
had not create a topology file before, you would need to look at the
topology tutorial:

http://www.ks.uiuc.edu/Training/Tutorials/

regards;

Eduardo

On Mar 10, 2010, at 1:20 PM, muniyamuthu.raviprasad_at_ndsu.edu wrote:

>
> Hi
> I am new to VMD-L . I am working on MD simulation. I need PBT
> topology
> file and CHARMM parameters. If anyone could help me on this, that
> would be great.
>
> Thanks
> Ravi
>
>
>
>
>
>
>

=====================
Eduardo Roberto Cruz Chu
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