I think I made a mistake: Aniline: SC4 -SC4 - SNd Pyrrole: SC4 -SNd Tiofen: SC4 - SC5
I am not sure... On Thu, Mar 8, 2012 at 3:24 PM, dina dusti <dinadu...@yahoo.com> wrote: > Dear Dariush, > > Thank you very much from your response. > Then you tell me that the definition of aniline and pyrrole, is correct? > Is your mean about SC5 for tiofen means that it is defined as SC4 and SC5 > for tiofen? indeed I had doubt about this definition because S is without H > in tiofen. > May I know your cause for this definition, Please? > > Best Regards > Dina > ------------------------------ > *From:* Dariush Mohammadyani <d.mohammady...@gmail.com> > *To:* dina dusti <dinadu...@yahoo.com>; Discussion list for GROMACS users > <gmx-users@gromacs.org> > *Sent:* Thursday, March 8, 2012 11:24 PM > *Subject:* Re: [gmx-users] Martini > > SC5 does not work? > Dariush > > -- > Kind Regards, > Dariush Mohammadyani > Department of Structural Biology > University of Pittsburgh School of Medicine > Biomedical Science Tower 3 > 3501 Fifth Avenue > Pittsburgh, PA 15261 > USA > > > > On Thu, Mar 8, 2012 at 2:34 PM, dina dusti <dinadu...@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 > Dina > > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > > > > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- Kind Regards, Dariush Mohammadyani Department of Structural Biology University of Pittsburgh School of Medicine Biomedical Science Tower 3 3501 Fifth Avenue Pittsburgh, PA 15261 USA
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