From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Wed Feb 25 2009 - 15:09:23 CST
You may wish to google for
charmm nitrobenzene.
Interesting things might pop up.
Falgun Shah wrote:
> dear Namd/vmd User
>
> I am trying to parametrize my ligand of interest with charmm27 force
> field rules. My ligand has nitro benzene group in it. I was wondering
> which force field type should i define for nirtogen in nitro group
> according to charmm27. Is anyone aware or has faced this issue before. I
> have checked all the latest topology files with charm27 force field. but
> i could not find it.
>
> I would really appreciate your suggestions
>
> Thanks
> --
> Falgun H shah
> PhD candidate (3rd year)
> Department of Medicinal Chemistry
> 2028, Natural Product Center
> University of Mississippi
>
> Ph No: 6629151286(O)
> 662 801 5667(M)
> email: fhshah_at_olemiss.edu <mailto:fhshah_at_olemiss.edu>
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