VMD-L Mailing List
From: Falgun Shah (fhshah_at_olemiss.edu)
Date: Wed Feb 25 2009 - 11:02:02 CST
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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
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