Hi E R Azhagiya singam, You first have to ask yourself whether you're up to it. This is considered an advanded topic. In particular for groups like these. To start with, do you know the protonation state of the Zn(Cys)4 group in your case?
Cheers, Tsjerk On Fri, Feb 19, 2010 at 9:14 AM, babu gokul <bb...@yahoo.co.in> wrote: > Dear all > I would like to simulate the molecule which consist of a zn atom > coordinated to four CYS residue. I would like to know how to insert the > parameters for zn coordination. As I am new to Gromacs I would like to have > detailed description.I would like to use OPLS force field. > Thanking you > E R Azhagiya singam > > ------------------------------ > The INTERNET now has a personality. YOURS! See your Yahoo! > Homepage<http://in.rd.yahoo.com/tagline_yyi_1/*http://in.yahoo.com/> > . > > -- > 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/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/mailing_lists/users.php > -- Tsjerk A. Wassenaar, Ph.D. Computational Chemist Medicinal Chemist Neuropharmacologist
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