d.mohammadyani at gmail.com
Thu Mar 8 20:54:09 CET 2012
SC5 does not work?
Department of Structural Biology
University of Pittsburgh School of Medicine
Biomedical Science Tower 3
3501 Fifth Avenue
Pittsburgh, PA 15261
On Thu, Mar 8, 2012 at 2:34 PM, dina dusti <dinadusti at yahoo.com> wrote:
> Dear Gromacs Specialists,
> May I ask you to help me for definition of pyrrole, tiofen and aniline in
> MARTINI coarse-grained force field, Please?
> I defined them as following:
> aniline (one benzene ring+NH2) = SC4, SC4, SNd
> pyrrole (one aromatic ring consists of 4 carbon and one NH) = SC4, SP1
> tiofen (one aromatic ring consists of 4 carbon and one S) = ???
> May I ask you to tell me your idea about these molecules, Please?
> Thank you in advance.
> Best Regards
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